| SpectraBase Spectrum ID |
CHDgXeAmJW2 |
| Name |
2-Cyclohexene-1-propanoic acid, 5-(acetyloxy)-2,6,6-trimethyl-, methyl ester, (1S-trans)- |
| 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/h6,12-13H,7-9H2,1-5H3/t12-,13-/m0/s1 |
| InChIKey |
TXZNFHCLAGGBLC-STQMWFEESA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C1([C@](C(C)=CC[C@@]1(OC(=O)C)[H])(CCC(=O)OC)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949658 |
