| SpectraBase Spectrum ID |
12i5D8IPE7V |
| Name |
(3ar,7S,8S,8ar)-9,9-Dimethyl-hexahydro-4-methylene-8-(phenylmethoxy)-1H-3A,7-methanoazulen-8A(4H)-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-15-10-11-17-18(23-14-16-8-5-4-6-9-16)21(22)13-7-12-20(15,21)19(17,2)3/h4-6,8-9,17-18,22H,1,7,10-14H2,2-3H3/t17-,18+,20-,21+/m1/s1 |
| InChIKey |
USUWOAUMSXLESU-JYRKZWEQSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
C1CC[C@@]23C(CC[C@]([C@@]([C@@]13O)(OCC=1C=CC=CC1)[H])(C2(C)C)[H])=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824412 |
