| SpectraBase Spectrum ID |
AcPzxxNBSc0 |
| Name |
Cyclododecanecarboxylic acid, 1-[2-[(4-chlorophenyl)sulfonyl]ethyl]-2-ethenyl-12-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.203844759 u |
| Formula |
C18H28O3 |
| InChI |
InChI=1S/C18H28O3/c1-21-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(16)19/h6,8,14H,2-5,7,9-13,15H2,1H3/b8-6-,16-14+ |
| InChIKey |
NCZQYNYCPQZZHY-KEXXWUDQSA-N |
| Molecular Weight |
292.419 g/mol |
| SMILES |
C(\C=1C(=O)CCCCCCCCC\C=C/CCC\1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852623 |
![Cyclododecanecarboxylic acid, 1-[2-[(4-chlorophenyl)sulfonyl]ethyl]-2-ethenyl-12-oxo-, methyl ester](/api/spectrum/AcPzxxNBSc0/structure.png?h=300&w=458 "Cyclododecanecarboxylic acid, 1-[2-[(4-chlorophenyl)sulfonyl]ethyl]-2-ethenyl-12-oxo-, methyl ester")
