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4-keto-6,6-dimethyl-2,3,5,7-tetrahydrobenzofuran-2-carboxylic acid ethyl ester
SpectraBase Compound ID 4EnMrOzloI9
InChI InChI=1S/C13H18O4/c1-4-16-12(15)10-5-8-9(14)6-13(2,3)7-11(8)17-10/h10H,4-7H2,1-3H3
InChIKey UUOWOLURNOLHDA-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfEXkHIIZMe
Name 4-keto-6,6-dimethyl-2,3,5,7-tetrahydrobenzofuran-2-carboxylic acid ethyl ester
Alternate Name(s) 6,6-Dimethyl-4-oxo-2,3,5,7-tetrahydrobenzofuran-2-carboxylic acid ethyl ester Ethyl 6,6-dimethyl-4-oxidanylidene-2,3,5,7-tetrahydro-1-benzofuran-2-carboxylate Ethyl 6,6-dimethyl-4-oxo-2,3,5,7-tetrahydro-1-benzofuran-2-carboxylate Ethyl 6,6-dimethyl-4-oxo-2,3,5,7-tetrahydrobenzofuran-2-carboxylate
CAS Registry Number 108967-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-4-16-12(15)10-5-8-9(14)6-13(2,3)7-11(8)17-10/h10H,4-7H2,1-3H3
InChIKey UUOWOLURNOLHDA-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C12=C(OC(C2)C(=O)OCC)CC(CC1=O)(C)C
SPLASH splash10-014r-0910000000-3a91f4cb6d4e11787c44
Source of Spectrum J-53-2530-5
Wiley ID 1240515