| SpectraBase Spectrum ID |
8HYkKpzgPoA |
| Name |
Bicyclo[3.3.0]octa-2,6-diene-2-carbonitrile, 7-[(4-chlorophenyl)sulfonyl]-1,5-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.059027631 u |
| Formula |
C17H16ClNO2S |
| InChI |
InChI=1S/C17H16ClNO2S/c1-16-8-7-12(11-19)17(16,2)10-15(9-16)22(20,21)14-5-3-13(18)4-6-14/h3-7,9H,8,10H2,1-2H3 |
| InChIKey |
VBXPIJJLHANGAD-UHFFFAOYSA-N |
| Molecular Weight |
333.833 g/mol |
| SMILES |
C1C2(C(CC(=C2)S(=O)(=O)C2=CC=C(C=C2)Cl)(C)C(=C1)C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849161 |
![Bicyclo[3.3.0]octa-2,6-diene-2-carbonitrile, 7-[(4-chlorophenyl)sulfonyl]-1,5-dimethyl-](/api/spectrum/8HYkKpzgPoA/structure.png?h=300&w=458 "Bicyclo[3.3.0]octa-2,6-diene-2-carbonitrile, 7-[(4-chlorophenyl)sulfonyl]-1,5-dimethyl-")
