SpectraBase Compound ID | CqVWSOiqNUM |
---|---|
InChI | InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3 |
InChIKey | WEISAZNMMVPNTH-UHFFFAOYSA-N |
Mol Weight | 200.23 g/mol |
Molecular Formula | C10H16O4 |
Exact Mass | 200.104859 g/mol |
SpectraBase Spectrum ID | 9KVTPUCC5Hp |
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Name | Isopropylidenemalonic acid, diethyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 200.104858991 u |
Formula | C10H16O4 |
InChI | InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3 |
InChIKey | WEISAZNMMVPNTH-UHFFFAOYSA-N |
Molecular Weight | 200.234 g/mol |
SMILES | CCOC(C(C(OCC)=O)=C(C)C)=O |
Spectrum/Structure Validation Score (Raman) | 0.98375 |