| SpectraBase Spectrum ID |
ZxBz7eUcL3 |
| Name |
(1R,4S,5S,9S)-4,5-Dihydrocaryophyllen-5-ol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h12,14-16H,1,6-10H2,2-5H3/t12-,14+,15+,16-/m0/s1 |
| InChIKey |
BLMDJVOQCTWFOL-XZDPQHSOSA-N |
| Molecular Weight |
264.409 g/mol |
| SMILES |
[C@]12([C@](CC[C@@](C)([H])[C@@](OC(=O)C)(CCC2=C)[H])([H])C(C1)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943983 |
