| SpectraBase Compound ID | GwL3JAXhaBo |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-2-12(13)8-9-14-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | TVZRIZNRRYZXCL-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DsEpZb55fis |
|---|---|
| Name | 5-Benzyloxypenta-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-2-12(13)8-9-14-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | TVZRIZNRRYZXCL-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(=O)(CCOCC1=CC=CC=C1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96915 |