| SpectraBase Compound ID | G404yf1aQQz |
|---|---|
| InChI | InChI=1S/C13H20O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3 |
| InChIKey | FGGCAMZUJUBLJM-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3TPPAJkVRFH |
|---|---|
| Name | 7-Phenyl-3-heptanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3 |
| InChIKey | FGGCAMZUJUBLJM-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C=1(CCCCC(O)CC)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931926 |