| SpectraBase Spectrum ID |
Bj1atxaJjvL |
| Name |
Acetic acid, 1-methyl-3-(2,6,6-trimethylcyclohex-2-enyl)propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.193280075 u |
| Formula |
C15H26O2 |
| InChI |
InChI=1S/C15H26O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h7,12,14H,6,8-10H2,1-5H3 |
| InChIKey |
DLGGWPFFJQBFTH-UHFFFAOYSA-N |
| Molecular Weight |
238.371 g/mol |
| SMILES |
C=1CCC(C(C1C)CCC(OC(C)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971816 |
