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3-carbethoxy-4-methyl-valeric acid
SpectraBase Compound ID B0Oq5D1guEz
InChI InChI=1S/C9H16O4/c1-4-13-9(12)7(6(2)3)5-8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey CZVLJKQZXSGJNW-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39lJmtnzKC
Name 3-carbethoxy-4-methyl-valeric acid
Alternate Name(s) 3-Ethoxycarbonyl-4-methylpentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-4-13-9(12)7(6(2)3)5-8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey CZVLJKQZXSGJNW-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC(CC(C(=O)OCC)C(C)C)=O
SPLASH splash10-052f-9500000000-83724836d9c9bb20cca6
Source of Spectrum AN-103-440-17
Wiley ID 747474