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

Formula: C10H15N5O


Canonical SMILES:
CC(Cn1cc2c(n1)N=NN(C2)C(=O)C)C
InChI:
InChI=1S/C10H15N5O/c1-7(2)4-14-5-9-6-15(8(3)16)13-11-10(9)12-14/h5,7H,4,6H2,1-3H3
InChIKey:
WDXQCIDOHPSJHM-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-07-11This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 
Author: Nicolai Wippert1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
HSQC (1H NMR [100 MHz] --> 13C NMR [400 MHz], CDCl3, ppm) δ = 7.16 (d, J = 0.8 Hz, 1H) --> 126.5 (+, CH); 4.86 (s, 2H) --> 39.0 (-, CH2); 3.91 (d, J = 7.3 Hz, 2H) --> 60.6 (-, CH2); 2.55 (s, 3H) --> 22.3 (+, CH3); 2.23 (hept, J = 6.8 Hz, 1H) --> 29.7 (+, CH); 0.91 (d, J = 6.7 Hz, 6H) --> 19.9 (+, CH3, 2C).
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