| SpectraBase Spectrum ID |
CVxAmcb1fg |
| Name |
Caryophyll-5-en-2.beta.-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-11-6-5-9-15(4,16)13-10-14(2,3)12(13)8-7-11/h6,12-13,16H,5,7-10H2,1-4H3/b11-6-/t12-,13+,15-/m1/s1 |
| InChIKey |
ALNKZTYOLOJPKB-ALWUVHDYSA-N |
| Molecular Weight |
222.372 g/mol |
| SMILES |
[C@]12([C@](CC\C(C)=C/CC[C@]2(O)C)([H])C(C1)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951994 |
