| SpectraBase Spectrum ID |
172Zjd1IdC8 |
| Name |
(2R,5E)-2,12-Epoxycaryophyll-5-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-11-5-4-8-15(10-16-15)13-9-14(2,3)12(13)7-6-11/h5,12-13H,4,6-10H2,1-3H3/b11-5+/t12-,13+,15+/m1/s1 |
| InChIKey |
AURKDPLYMRHYAY-USNDISCDSA-N |
| Molecular Weight |
220.356 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](CC\C(=C\CC2)C)([H])C(C3)(C)C)[H])OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944451 |
