| SpectraBase Compound ID | KIpWnhPoISc |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-4-8-12(13)14-11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | MEKODTPFXNDIKN-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 | 9uuowocsNl3 |
|---|---|
| Name | Valeric acid, 3-methylphenyl ester |
| 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/c1-3-4-8-12(13)14-11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | MEKODTPFXNDIKN-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | CCCCC(OC=1C=CC=C(C)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882747 |