| SpectraBase Spectrum ID |
1AuHjQvPvUU |
| Name |
2-Cyclohexen-1-one, 4-(benzoyloxy)-3-methyl-6-(1-methylethenyl)-, (4R-cis)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.125594437 u |
| Formula |
C17H18O3 |
| InChI |
InChI=1S/C17H18O3/c1-11(2)14-10-16(12(3)9-15(14)18)20-17(19)13-7-5-4-6-8-13/h4-9,14,16H,1,10H2,2-3H3/t14-,16-/m1/s1 |
| InChIKey |
BESVEDRGRIBPGC-GDBMZVCRSA-N |
| SMILES |
C1(C=C(C)[C@@](C[C@@]1(C(=C)C)[H])(OC(=O)C1=CC=CC=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962937 |
