| SpectraBase Spectrum ID |
7CqTkbB8PuS |
| Name |
2-(1-Cyclohexen-1-yl)cyclohexyl acetate |
| 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/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h7,13-14H,2-6,8-10H2,1H3 |
| InChIKey |
DVJZIGACFDKUSN-UHFFFAOYSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
C1(C(C2=CCCCC2)CCCC1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90078 |
