| SpectraBase Spectrum ID |
5Cc7YEsfqtK |
| Name |
(2S,3' S,4' R)-Isohumbertiol |
| 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/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,13-14,16H,1-2,7-8,10H2,3-5H3/t13-,14+,15-/m1/s1 |
| InChIKey |
KPDSVTXZHWEKOQ-QLFBSQMISA-N |
| Molecular Weight |
220.356 g/mol |
| SMILES |
[C@]1(C=C(C)CC[C@]1(C(=C)C)[H])(C[C@@](C=C)(O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934954 |
