| SpectraBase Compound ID | LNVZM0Odb89 |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-3-4-5-8(2)6-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6- |
| InChIKey | GRTXIEYPSMTXPB-VURMDHGXSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ba0qto4qL1q |
|---|---|
| Name | (Z)-4-Methyloct-3-enoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-3-4-5-8(2)6-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6- |
| InChIKey | GRTXIEYPSMTXPB-VURMDHGXSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C\C=C/(CCCC)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898737 |