| SpectraBase Spectrum ID |
5VXKki5BYY1 |
| Name |
2-[(1S,6R)-3-Methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]acetic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-5-16-14(15)9-12-8-11(4)6-7-13(12)10(2)3/h8,12-13H,2,5-7,9H2,1,3-4H3/t12-,13+/m1/s1 |
| InChIKey |
JWGXPDSXJCGYBS-OLZOCXBDSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@]1(C=C(C)CC[C@]1(C(=C)C)[H])(CC(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889252 |
![2-[(1S,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]acetic acid ethyl ester](/api/spectrum/5VXKki5BYY1/structure.png?h=300&w=458 "2-[(1S,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]acetic acid ethyl ester")
