| SpectraBase Spectrum ID |
L5NBqigSYNt |
| Name |
Benzocyclooctene, 7,8-dihydro-2,9-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.125200515 u |
| Formula |
C14H16 |
| InChI |
InChI=1S/C14H16/c1-11-5-3-4-6-13-8-7-12(2)10-14(13)9-11/h4,6-10H,3,5H2,1-2H3/b6-4-,11-9- |
| InChIKey |
SCCSKZCGXTZMBZ-MJCCWDFWSA-N |
| Molecular Weight |
184.282 g/mol |
| SMILES |
C=12\C=C/(CC\C=C/C2=CC=C(C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954576 |
