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Methyl isodehydracetate

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

Methyl isodehydracetate
SpectraBase Compound ID I6QTEYzQfm1
InChI InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3
InChIKey VLYBFLKIZIACQH-UHFFFAOYSA-N
Mol Weight 182.17 g/mol
Molecular Formula C9H10O4
Exact Mass 182.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BS67dVF3dh
Name 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
Alternate Name(s) Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate 2,4-Dimethyl-6-oxo-3-pyrancarboxylic acid methyl ester 6-keto-2,4-dimethyl-pyran-3-carboxylic acid methyl ester Methyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Methyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate Methyl isodehydracetate Methyl isodehydroacetate EINECS 255-283-5
CAS Registry Number 41264-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4
InChI InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3
InChIKey VLYBFLKIZIACQH-UHFFFAOYSA-N
Molecular Weight 182.175 g/mol
SMILES C1(=C(OC(C=C1C)=O)C)C(=O)OC
SPLASH splash10-0ukc-3900000000-26606ebe44208483c125
Source of Spectrum J-52-1898-35
Wiley ID 1178204