| SpectraBase Compound ID | JntSk9G3vPK |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-3-5-9-15-11(13)7-6-10(12)14-8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+ |
| InChIKey | PIPRFMMNWKBSIO-VOTSOKGWSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | bAy1YqZ5n5 |
|---|---|
| Name | Fumaric acid, butyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-3-5-9-15-11(13)7-6-10(12)14-8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+ |
| InChIKey | PIPRFMMNWKBSIO-VOTSOKGWSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(\C=C\C(OCCCC)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985865 |