| SpectraBase Spectrum ID |
6dMWJwAlCXr |
| Name |
Indan, 1-benzylidenehexahydro-7A-methyl-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.172150708 u |
| Formula |
C17H22 |
| InChI |
InChI=1S/C17H22/c1-17-12-6-5-9-15(17)10-11-16(17)13-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3/b16-13- |
| InChIKey |
QHFAKASWUMZBIM-SSZFMOIBSA-N |
| Molecular Weight |
226.363 g/mol |
| SMILES |
CC12CCCCC2CC\C1=C/C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919725 |
