| SpectraBase Compound ID | H7aL8T7Z1U2 |
|---|---|
| InChI | InChI=1S/C9H16O5/c1-4-13-7(11)9(3,6-10)8(12)14-5-2/h10H,4-6H2,1-3H3 |
| InChIKey | JSAJNHHEMXTZIP-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C9H16O5 |
| Exact Mass | 204.099774 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5s24AJFbMAL |
|---|---|
| Name | Propanedioic acid, (hydroxymethyl)methyl-, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.099773610 u |
| Formula | C9H16O5 |
| InChI | InChI=1S/C9H16O5/c1-4-13-7(11)9(3,6-10)8(12)14-5-2/h10H,4-6H2,1-3H3 |
| InChIKey | JSAJNHHEMXTZIP-UHFFFAOYSA-N |
| Molecular Weight | 204.222 g/mol |
| SMILES | OCC(C)(C(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98546 |