SpectraBase Compound ID | 6uiFjQIbcfi |
---|---|
InChI | InChI=1S/C9H18O4/c1-5-11-8(10)9(4,12-6-2)13-7-3/h5-7H2,1-4H3 |
InChIKey | BVAMIFTXHAJQHP-UHFFFAOYSA-N |
Mol Weight | 190.24 g/mol |
Molecular Formula | C9H18O4 |
Exact Mass | 190.120509 g/mol |
SpectraBase Spectrum ID | 8kQ56T5Bwj0 |
---|---|
Name | Pyruvic acid, ethyl ester, diethyl acetal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 190.120509056 u |
Formula | C9H18O4 |
InChI | InChI=1S/C9H18O4/c1-5-11-8(10)9(4,12-6-2)13-7-3/h5-7H2,1-4H3 |
InChIKey | BVAMIFTXHAJQHP-UHFFFAOYSA-N |
Molecular Weight | 190.239 g/mol |
SMILES | CCOC(=O)C(OCC)(C)OCC |
Spectrum/Structure Validation Score (Raman) | 0.91753 |