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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: C₁₃H₂₂N₆

Canonical SMILES:
CN(CCCNc1ncnc2c1ncn2C(C)C)C

InChI:
InChI=1S/C13H22N6/c1-10(2)19-9-17-11-12(15-8-16-13(11)19)14-6-5-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,14,15,16)

InChIKey:
DYIJRFOKZWKRSU-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:

13C NMR (101 MHz, MeOD) δ 156.16, 153.46, 149.34, 139.74, 120.70, 58.17, 48.6, 39.95, 28.25, 28.25, 22.68.

Datasets

Formula: C13H22N6

Canonical SMILES: CN(CCCNc1ncnc2c1ncn2C(C)C)C

InChI: InChI=1S/C13H22N6/c1-10(2)19-9-17-11-12(15-8-16-13(11)19)14-6-5-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,14,15,16)

InChIKey: DYIJRFOKZWKRSU-UHFFFAOYSA-N