| SpectraBase Compound ID | DB7WJ2CzNIJ |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-3-5-9-7(8)10-6-4-2/h3H,1,4-6H2,2H3 |
| InChIKey | QWNFSVYIPSLJNZ-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I4fayG65y0 |
|---|---|
| Name | Carbonic acid, allyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-3-5-9-7(8)10-6-4-2/h3H,1,4-6H2,2H3 |
| InChIKey | QWNFSVYIPSLJNZ-UHFFFAOYSA-N |
| SMILES | C=CCOC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94917 |