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(1S,3aS)-1-methyl-3-oxo-1H-cyclohepta[c]furan-3a-carboxylic acid ethyl ester
SpectraBase Compound ID Fdkq3aA60wQ
InChI InChI=1S/C13H14O4/c1-3-16-11(14)13-8-6-4-5-7-10(13)9(2)17-12(13)15/h4-9H,3H2,1-2H3/t9-,13-/m0/s1
InChIKey ZCZVGNWEIPDOPO-ZANVPECISA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j5VRlzhHoj
Name (1S,3aS)-1-methyl-3-oxo-1H-cyclohepta[c]furan-3a-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-3-16-11(14)13-8-6-4-5-7-10(13)9(2)17-12(13)15/h4-9H,3H2,1-2H3/t9-,13-/m0/s1
InChIKey ZCZVGNWEIPDOPO-ZANVPECISA-N
Molecular Weight 234.251 g/mol
SMILES [C@@]12(C(O[C@](C2=CC=CC=C1)(C)[H])=O)C(=O)OCC
SPLASH splash10-0900-3900000000-e559255c2290dcb82e4c
Source of Spectrum KC-0-4072-17
Synonyms (1S,3aS)-3-keto-1-methyl-1H-cyclohepta[c]furan-3a-carboxylic acid ethyl ester Ethyl (1S,3aS)-1-methyl-3-oxidanylidene-1H-cyclohepta[c]furan-3a-carboxylate Ethyl (1S,3aS)-1-methyl-3-oxo-1H-cyclohepta[c]furan-3a-carboxylate
Wiley ID 827049