| SpectraBase Spectrum ID |
JmfApLYnnSt |
| Name |
12-Hydroxy-4,5-epoxy-caryophyllene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-10-4-5-13-15(3,17-13)7-6-12-11(10)8-14(12,2)9-16/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,14+,15-/m1/s1 |
| InChIKey |
XLKXIWMHACWINL-ARILJUKYSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@@]12(O[C@@]1(CCC([C@]1(C[C@]([C@@]1(CC2)[H])(CO)C)[H])=C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929564 |
