| SpectraBase Spectrum ID |
7d2BahZp5XW |
| Name |
Caryophylla-2(12),6-dien-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-13H,1,6-9H2,2-4H3/b11-5-/t12-,13-/m1/s1 |
| InChIKey |
UVPVOJNEDSOAHT-WNIKWDQDSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
[C@]12([C@](C\C=C\(C)C(CCC2=C)=O)([H])C(C1)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927165 |
