| SpectraBase Spectrum ID |
4anyLzoJ1B9 |
| Name |
5-Benzocyclooctenol, 5,6,7,8-tetrahydro-8,8-dimethyl-, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.146329882 u |
| Formula |
C16H20O2 |
| InChI |
InChI=1S/C16H20O2/c1-12(17)18-15-9-11-16(2,3)10-8-13-6-4-5-7-14(13)15/h4-8,10,15H,9,11H2,1-3H3/b10-8- |
| InChIKey |
ACHPEYQOIOLXMD-NTMALXAHSA-N |
| Molecular Weight |
244.334 g/mol |
| SMILES |
C1(C=2C(\C=C/C(CC1)(C)C)=CC=CC2)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8221 |
