| SpectraBase Compound ID | FCXcxkrpr91 |
|---|---|
| InChI | InChI=1S/C13H18O3/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2 |
| InChIKey | OODHJPDDRCGXMP-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jj7GAbyCxi9 |
|---|---|
| Name | Benzyl 6-hydroxyhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2 |
| InChIKey | OODHJPDDRCGXMP-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(=O)(OCC=1C=CC=CC1)CCCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904339 |