| SpectraBase Spectrum ID |
5o6fmdlO7vk |
| Name |
7,8-Epoxy-1(12)-caryophylene-9.beta.-ol |
| 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/c1-9-5-6-12(16)15(4)13(17-15)7-11-10(9)8-14(11,2)3/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,15-/m1/s1 |
| InChIKey |
LPNFWWBDWLFIFV-DGMCESFYSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@]12(O[C@]2(C[C@@]2([C@@]([H])(C(CC[C@@]1(O)[H])=C)CC2(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919412 |
