| SpectraBase Compound ID | APeFi3XGFI |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | XCWPXUNHSPOFGV-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BEkeHlf39T3 |
|---|---|
| Name | Allyl isoamyl glycolate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | XCWPXUNHSPOFGV-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(=O)(OCC=C)COCCC(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.965595 |