| SpectraBase Compound ID | I7t9RMH88Oz |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-5,9H,6-8H2,1-3H3/b5-4+ |
| InChIKey | BOGRGVTUFDJVFK-SNAWJCMRSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8gNU4HGobGa |
|---|---|
| Name | 4-Hexen-1-ol, 2-methylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-5,9H,6-8H2,1-3H3/b5-4+ |
| InChIKey | BOGRGVTUFDJVFK-SNAWJCMRSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C\C=C\CCCOC(C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955238 |