| SpectraBase Spectrum ID |
Esc1qURRQXd |
| Name |
1-Methyl-3-ethenyl-8.beta.-benzoyloxytricyclo[3.3.0.0(4,6)]octane-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.125594437 u |
| Formula |
C18H18O3 |
| InChI |
InChI=1S/C18H18O3/c1-3-10-9-18(2)14-12(10)13(14)15(19)16(18)21-17(20)11-7-5-4-6-8-11/h3-8,10,12-14,16H,1,9H2,2H3/t10?,12?,13?,14?,16-,18?/m0/s1 |
| InChIKey |
VUAAIHFOXFRXOX-RGUJQODXSA-N |
| SMILES |
C12C3C(=O)[C@@](C2(CC(C13)C=C)C)(OC(=O)C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90008 |
![1-Methyl-3-ethenyl-8.beta.-benzoyloxytricyclo[3.3.0.0(4,6)]octane-7-one](/api/spectrum/Esc1qURRQXd/structure.png?h=300&w=458 "1-Methyl-3-ethenyl-8.beta.-benzoyloxytricyclo[3.3.0.0(4,6)]octane-7-one")
