| SpectraBase Spectrum ID |
ReOe8GnwzA |
| Name |
2,3,7,8-Tetrahydro-4,9,9-trimethyl-8-(phenymethoxy)-1H-3A,7-methanoazulene-8A(6H)-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/h4-6,8-10,17-18,22H,7,11-14H2,1-3H3/t17-,18+,20-,21+/m1/s1 |
| InChIKey |
JFEIDTRMJLAYGH-JYRKZWEQSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
[C@]123[C@]([C@@](OCC4=CC=CC=C4)([C@](C1(C)C)(CC=C2C)[H])[H])(O)CCC3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836707 |
