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VALERIC ACID, 2,4-DIOXO-, ETHYL ESTER
SpectraBase Compound ID 45wCIXowLw6
InChI InChI=1S/2C7H10O4/c2*1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3;4,8H,3H2,1-2H3/b;5-4+
InChIKey QHDBVMYEVUEKEC-RCKHEGBHSA-N
Mol Weight 158.15 g/mol
Molecular Formula C7H10O4
Exact Mass 158.057909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NTJPtOgqhE
Name 2,4-DIOXOVALERIC ACID, ETHYL ESTER
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 100-103C/11mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O4
InChI InChI=1S/2C7H10O4/c2*1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3;4,8H,3H2,1-2H3/b;5-4+
InChIKey QHDBVMYEVUEKEC-RCKHEGBHSA-N
Melting Point 16-18C
Molecular Weight 158.16
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms VALERIC ACID, 2,4-DIOXO-, ETHYL ESTER