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3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, butyl ester

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, butyl ester
SpectraBase Compound ID IXyA3By6rUr
InChI InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3
InChIKey OKIJSNGRQAOIGZ-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQLOTDTkxxp
Name 2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, butyl ester
CAS Registry Number 532-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3
InChIKey OKIJSNGRQAOIGZ-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES CCCCOC(=O)C=1OC(C)(C)CC(C1)=O
SPLASH splash10-014i-9500000000-f1bc6a67462bfadd6cc2
Source of Spectrum W6-19777-0-0
Synonyms Butyl 2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylate .alpha.,.alpha.-Dimethyl-.alpha.'-carbobutoxy-dihydro-.gamma.-pyrone 2,2-Dimethyl-4-oxo-3H-pyran-6-carboxylic acid butyl ester 2,2-Dimethyl-6-carbobutoxy-2,3-dihydro-4-pyrone 2-Carbo-n-butoxy-6,6-dimethyl-5,6-dihydro-1,4-pyrone 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid butyl ester 4-keto-2,2-dimethyl-3H-pyran-6-carboxylic acid butyl ester 4-Pyrone-2-carboxylic acid, 5,6-dihydro-6,6-dimethyl-, butyl ester BMOO Butopyronoxyl Butyl 2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxylate Butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-1-2H-pyran-6-carboxylate Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate Butyl 5,6-dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-carboxylate Butyl dihydro-6,6-dimethyl-4-oxopyran-2-carboxylate Butyl dimethyl dihydro-pyrone carboxylate Butyl mesityl oxide oxalate Butyldimethyldihydro-.gamma.-pyrone carboxylate Butyldimethyldihydro-gamma-pyrone carboxylate Butylmesityl oxide Dihydropyrone Indalone n-Butyl ester of 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid n-Butyl mesityl oxide oxalate n-Butyl-3,4-dihydro-2,2-dimethyl-4-oxo-1,2H-pyran-6-carboxylate n-Butylmesityloxid oxalate AI3-00009 BRN 0160461 CASWELL NO. 128 EINECS 208-535-3 ENT 9 EPA PESTICIDE CHEMICAL CODE 046801 HSDB 1526 NSC 404420
Wiley ID 97364