| SpectraBase Spectrum ID |
BO9b5FUDo7r |
| Name |
cis-7-(1-Methylethenyl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.103085344 u |
| Formula |
C15H17NOS |
| InChI |
InChI=1S/C15H17NOS/c1-11(2)13-14(17)16-9-6-10-18-15(13,16)12-7-4-3-5-8-12/h3-5,7-8,13H,1,6,9-10H2,2H3/t13-,15+/m1/s1 |
| InChIKey |
BSBPKQBBBLAANS-HIFRSBDPSA-N |
| Molecular Weight |
259.367 g/mol |
| SMILES |
[C@@]1(C(N2[C@]1(SCCC2)C1=CC=CC=C1)=O)(C(=C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897274 |
![cis-7-(1-Methylethenyl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one](/api/spectrum/BO9b5FUDo7r/structure.png?h=300&w=458 "cis-7-(1-Methylethenyl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one")
