| SpectraBase Compound ID | KWRaVNvDV9W |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-6(2)10(12)14-9-7(3)13-5-4-8(9)11/h4-6H,1-3H3 |
| InChIKey | VSBHYRPUJHEOBE-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AxovY3cce0p |
|---|---|
| Name | Maltyl isobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-6(2)10(12)14-9-7(3)13-5-4-8(9)11/h4-6H,1-3H3 |
| InChIKey | VSBHYRPUJHEOBE-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C1=COC(=C(C1=O)OC(C(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.827114 |