| SpectraBase Spectrum ID |
1zBg9N8DerC |
| Name |
1.beta.,12-Epoxy-8.alpha.(S),9.alpha.(R)-dihydroxycaryophyllene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.188194694 u |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-13(2)8-11-10(13)4-6-14(3,17)12(16)5-7-15(11)9-18-15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15+/m1/s1 |
| InChIKey |
SVOCNODFKUMEIY-MIBAYGRRSA-N |
| Molecular Weight |
254.370 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](CC[C@@]([C@@](CC2)(O)[H])(O)C)([H])C(C3)(C)C)[H])OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934081 |
