| SpectraBase Compound ID | DClA2vhT9Yh |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+ |
| InChIKey | SLWYMCAVYPZTRN-SNAWJCMRSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KUacGKeH4sV |
|---|---|
| Name | Trans-2-hexenyl formate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+ |
| InChIKey | SLWYMCAVYPZTRN-SNAWJCMRSA-N |
| SMILES | C(=O)OC\C=C\CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808574 |