| SpectraBase Spectrum ID |
9ybcjJPO0p7 |
| Name |
1-Cyclohexene-1-propanoic acid, 5-(acetyloxy)-2,6,6-trimethyl-, methyl ester, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.167459249 u |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-10-6-8-13(19-11(2)16)15(3,4)12(10)7-9-14(17)18-5/h13H,6-9H2,1-5H3/t13-/m0/s1 |
| InChIKey |
AYVAOZKBWMTPDC-ZDUSSCGKSA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C=1(C([C@@](OC(=O)C)(CCC1C)[H])(C)C)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952102 |
