| SpectraBase Spectrum ID |
9o10d1bHgvK |
| Name |
(5R,6R)-6-(5-Nitro-1,2,3,4-tetrazol-2-yl)-5-phenyl-3-thiophen-2-yl-cyclohex-2-en-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.073910470 u |
| Formula |
C17H13N5O3S |
| InChI |
InChI=1S/C17H13N5O3S/c23-14-10-12(15-7-4-8-26-15)9-13(11-5-2-1-3-6-11)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/t13-,16-/m1/s1 |
| InChIKey |
RRNWTPYCEVWZSQ-CZUORRHYSA-N |
| Molecular Weight |
367.383 g/mol |
| SMILES |
C=1C=CC([C@@]2([C@@](N3N=C(N(=O)=O)N=N3)(C(C=C(C2)C=2SC=CC2)=O)[H])[H])=CC1 |
