| SpectraBase Spectrum ID |
5d8XNBYsjed |
| Name |
5.alpha.,8.alpha.-Epoxycaryophyll-3-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/c1-10-5-6-11-12(9-14(11,2)3)15(4)8-7-13(10)16-15/h5,11-13H,6-9H2,1-4H3/b10-5-/t11-,12+,13+,15-/m1/s1 |
| InChIKey |
DAYMSEYHNLGHJR-YNXVFLMASA-N |
| Molecular Weight |
220.356 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](C\C=C/([C@@](O2)(CC1)[H])C)([H])C(C3)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967553 |
