| SpectraBase Compound ID | 3mcv03YF9fB |
|---|---|
| InChI | InChI=1S/C13H18O/c1-3-4-8-11-13(2,14)12-9-6-5-7-10-12/h3,5-7,9-10,14H,1,4,8,11H2,2H3 |
| InChIKey | LXQWJKALGXTGKR-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3eoAChQr8KF |
|---|---|
| Name | 2-Phenylhept-6-en-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-3-4-8-11-13(2,14)12-9-6-5-7-10-12/h3,5-7,9-10,14H,1,4,8,11H2,2H3 |
| InChIKey | LXQWJKALGXTGKR-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(C=1C=CC=CC1)(O)(CCCC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843398 |