| SpectraBase Compound ID | 4I7P9mIwQGp |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h5-6,8,10H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | CLRYHPFNHRAPPN-AATRIKPKSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8t7TyVcf2MY |
|---|---|
| Name | Trans-2-hexenyl lactate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h5-6,8,10H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | CLRYHPFNHRAPPN-AATRIKPKSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(C(O)C)(=O)OC\C=C\CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886385 |