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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C₁₁H₁₇N₅S

Canonical SMILES:
CSCCNc1ncnc2c1ncn2C(C)C

InChI:
InChI=1S/C11H17N5S/c1-8(2)16-7-15-9-10(12-4-5-17-3)13-6-14-11(9)16/h6-8H,4-5H2,1-3H3,(H,12,13,14)

InChIKey:
NEHPRVYJYMNUAK-UHFFFAOYSA-N

Exact Mass:

Crosslinks:

Published on 2014-05-27

13C nuclear magnetic resonance spectroscopy (13C NMR)

Authors: Simone Gräßle - Nicole Jung

Analysis DOI:

Analysis ID:

Content:

1H NMR (400 MHz, Chloroform-d), δ = 8.38 (s, 1 H), 7.82 (s, 1 H), 6.23 (s, 1 H), 4.83 (hept, J = 6.8 Hz, 2 H), 3.89 (bs, 2 H), 2.81 (t, J = 6.5 Hz, 2 H), 2.15 (s, 3 H), 1.59 (d, J = 6.8, 6 H).

Datasets

Formula: C11H17N5S

Canonical SMILES: CSCCNc1ncnc2c1ncn2C(C)C

InChI: InChI=1S/C11H17N5S/c1-8(2)16-7-15-9-10(12-4-5-17-3)13-6-14-11(9)16/h6-8H,4-5H2,1-3H3,(H,12,13,14)

InChIKey: NEHPRVYJYMNUAK-UHFFFAOYSA-N