For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Acetoacetic acid methyl ester
SpectraBase Compound ID I9hXZ4jrgMX
InChI InChI=1S/2C5H8O3/c2*1-4(6)3-5(7)8-2/h3H2,1-2H3;3,6H,1-2H3/b;4-3+
InChIKey USSKZHOBTVQYHC-SCBDLNNBSA-N
Mol Weight 116.12 g/mol
Molecular Formula C5H8O3
Exact Mass 116.047344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JhnIaC66s1o
Name ACETOACETIC ACID, METHYL ESTER
Source of Sample Union Carbide Corporation, New York, New York
Boiling Point 172C
Comments One carbon atom is unobserved
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10 H16 O6
InChI InChI=1S/2C5H8O3/c2*1-4(6)3-5(7)8-2/h3H2,1-2H3;3,6H,1-2H3/b;4-3+
InChIKey USSKZHOBTVQYHC-SCBDLNNBSA-N
Melting Point -41C
Molecular Weight 232.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20