| SpectraBase Spectrum ID |
Hpr6kM7kbzl |
| Name |
Acetic acid, 5-(2,2-dimethyl-6-oxocyclohexylidene)-3-methyl-pent-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-12(9-11-19-13(2)17)7-8-14-15(18)6-5-10-16(14,3)4/h7-8H,5-6,9-11H2,1-4H3/b12-7+,14-8+ |
| InChIKey |
XTKCOWLMUGKWBS-BKKXBQFWSA-N |
| Molecular Weight |
264.365 g/mol |
| SMILES |
C1CCC(\C(C1=O)=C\C=C\(CCOC(C)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911791 |
