N,N-diethyl-9-isopropyl-9H-purin-6-amine

m 212

Formula: C12H19N5

Canonical Smiles: CCN(c1ncnc2c1ncn2C(C)C)CC

Inchi: InChI=1S/C12H19N5/c1-5-16(6-2)11-10-12(14-7-13-11)17(8-15-10)9(3)4/h7-9H,5-6H2,1-4H3

Inchikey: HZSMMBCFOHTBNZ-UHFFFAOYSA-N

Mass: 233.16

Publication (over 3 years ago)

Authors:

Nicole Jung

Simone Gräßle

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N.1

Characterization

Thumb ir v166

IR

IR (ATR): ν˜ = 3851, 3440, 3109, 2978, 2934, 2876, 1904, 1713, 1589, 1522, 1481, 1463, 1404, 1379, 1337, 1285, 1240, 1219, 1165, 1125, 1080, 1037, 955, 932, 904, 884, 841, 794, 693, 652, 597 cm-1.

DOI: 10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/IR

Thumb masse v166

Mass/EI

MS (70 eV, EI, 30 °C) m/z (%): 233.1 (84), 218.1 (53), 204.1 (69), 190.1 (83), 162.1 (72), 148.1 (30), 82.0 (33), 72.1 (100), 67.0 (25), 56.0 (21), 44.0 (76).   

– HRMS (C12H19N5): ber. 233.1640; gef. 233.1642.

DOI: 10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/Mass/EI


Publication (over 3 years ago)

Authors:

Nicole Jung

Simone Gräßle

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N

Characterization

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NMR/1H/CDCl3/250

1H NMR (250 MHz, CDCl3), δ = 8.17 (d, J = 1.2 Hz, 1 H), 7.62 (d, J = 1.2 Hz, 1 H), 4.65 (pd, J = 6.8 Hz, J = 1.2 Hz, 1 H), 3.81 (bs, 4 H), 1.39 (dd, J = 6.8 HzJ = 1.2 Hz, 6 H), 1.11 (t, J = 7.0 Hz, 3 H), 1.10 (t, J = 7.0 Hz, 3 H).

DOI: 10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/NMR/1H/CDCl3/250

Thumb 166

NMR/13C/CDCl3/62.5

13C NMR (63 MHz, CDCl3), δ = 153.7, 152.1, 150.0, 135.5, 119.9, 46.4, 42.9, 22.5, 13.5.

DOI: 10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5


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