| SpectraBase Compound ID | 6pSN0qoktAA |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-7-13(15-11(2)14)10-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3 |
| InChIKey | SQDNMNGMXDLRIE-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 80b3yenAG0G |
|---|---|
| Name | 1-Benzylbutyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-7-13(15-11(2)14)10-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3 |
| InChIKey | SQDNMNGMXDLRIE-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C)(=O)OC(CCC)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88375 |