| SpectraBase Spectrum ID |
B8Jr86uwjOj |
| Name |
Acetic acid (E)-(R)-3-((R)-2,2-dimethyl-6-methylene-cyclohexyl)-1-methyl-allyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12,14H,1,6-7,10H2,2-5H3/b9-8+/t12-,14+/m1/s1 |
| InChIKey |
WCACCDKNSQRHFQ-JWEWWIMNSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@]1(\C=C\[C@](OC(=O)C)(C)[H])(C(=C)CCCC1(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866084 |
