| SpectraBase Compound ID | 31E9esrBYJE |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-3-7(10-2)6-4-5-11-8(6)9/h3-5H2,1-2H3/b7-6+ |
| InChIKey | AHLYEDCSQBGHLH-VOTSOKGWSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6MOP4EgYQne |
|---|---|
| Name | (E)-2-(1-Methoxypropylidene)-.gamma.-butyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-3-7(10-2)6-4-5-11-8(6)9/h3-5H2,1-2H3/b7-6+ |
| InChIKey | AHLYEDCSQBGHLH-VOTSOKGWSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1(\C(CCO1)=C/(OC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958856 |