| SpectraBase Compound ID | HE4KXC7NVwA |
|---|---|
| InChI | InChI=1S/C13H16O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,10,13-14H,4,7-9H2 |
| InChIKey | ZYEJVKQYFBBJQM-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JNSzVM1nfXG |
|---|---|
| Name | 3-Benzylcyclohex-2-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,10,13-14H,4,7-9H2 |
| InChIKey | ZYEJVKQYFBBJQM-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C1(=CC(O)CCC1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91267 |