| SpectraBase Compound ID | 9pCNJOd6XdM |
|---|---|
| InChI | InChI=1S/C11H14O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11-12H,2,4,6,8H2/t11-/m0/s1 |
| InChIKey | ZBNIQZCMPPVSKL-NSHDSACASA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KSv79XuoPd0 |
|---|---|
| Name | (S)-Benzosuberol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11-12H,2,4,6,8H2/t11-/m0/s1 |
| InChIKey | ZBNIQZCMPPVSKL-NSHDSACASA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C1=2[C@](CCCCC2C=CC=C1)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945871 |