| SpectraBase Compound ID | 3jwOOqHtx7J |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h3H,1,4-7H2,2H3 |
| InChIKey | RCMPWMPPJYBDKR-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Ii843VcH2c |
|---|---|
| Name | 6-Heptenoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h3H,1,4-7H2,2H3 |
| InChIKey | RCMPWMPPJYBDKR-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C(OC)=O)CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905032 |