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UCCIVWBRFWRWOE-UHFFFAOYSA-N

View entire compound with spectra: 3 NMR

UCCIVWBRFWRWOE-UHFFFAOYSA-N
SpectraBase Compound ID HcrkwEzKrei
InChI InChI=1S/C9H12O3/c1-5-7(10)8(6(2)3)9(11)12-4/h1,6,8H,2-4H3
InChIKey UCCIVWBRFWRWOE-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vdSMoBZLGi
Name 2-ISOPROPYL-3-OXO-4-PENTYNOIC ACID, METHYL ESTER
Source of Sample K. B. Becker J. Org. Chem. 42, 2647(1977)
CAS Registry Number 62493-29-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-7(10)8(6(2)3)9(11)12-4/h1,6,8H,2-4H3
InChIKey UCCIVWBRFWRWOE-UHFFFAOYSA-N
Molecular Weight 168.19
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms 4-PENTYNOIC ACID, 2-ISOPROPYL-3-OXO-, METHYL ESTER