| SpectraBase Compound ID | 6oNUKdlBowq |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-4-5-6-10(11)12-8-7-9(2)3/h7H,4-6,8H2,1-3H3 |
| InChIKey | PJMJLIYPHMEZSG-UHFFFAOYSA-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 | 5rntcW1MR3G |
|---|---|
| Name | Valeric acid, 3-methylbut-2-enyl ester |
| 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/c1-4-5-6-10(11)12-8-7-9(2)3/h7H,4-6,8H2,1-3H3 |
| InChIKey | PJMJLIYPHMEZSG-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(=O)(OCC=C(C)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.99249 |