| SpectraBase Compound ID | KVSq97mH6JH |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-7(2)11-6-4-5-8(9)10-3/h7H,4-6H2,1-3H3 |
| InChIKey | NOVXZKWAELINSG-UHFFFAOYSA-N |
| Mol Weight | 160.21 g/mol |
| Molecular Formula | C8H16O3 |
| Exact Mass | 160.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Io8vGN8uEO |
|---|---|
| Name | Butyric acid, 4-isopropoxy-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.109944372 u |
| Formula | C8H16O3 |
| InChI | InChI=1S/C8H16O3/c1-7(2)11-6-4-5-8(9)10-3/h7H,4-6H2,1-3H3 |
| InChIKey | NOVXZKWAELINSG-UHFFFAOYSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | C(CCOC(C)C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988988 |