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Methyl (7S)-1-oxo-(hexahydro)-isobenzofuran-7-carboxylate
SpectraBase Compound ID IhjCRsiMkb5
InChI InChI=1S/C10H12O4/c1-13-9(11)7-4-2-3-6-5-14-10(12)8(6)7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKey KRRDXXOOFDGXSO-ZETCQYMHSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LFzn10llNb
Name Methyl (7S)-1-oxo-(hexahydro)-isobenzofuran-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-13-9(11)7-4-2-3-6-5-14-10(12)8(6)7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKey KRRDXXOOFDGXSO-ZETCQYMHSA-N
Molecular Weight 196.202 g/mol
SMILES C1=2C(OCC2CCC[C@@]1(C(=O)OC)[H])=O
SPLASH splash10-002o-9700000000-791bc8cdf80c00da2dee
Source of Spectrum U1-2003-4066-19
Synonyms Methyl (4S)-3-oxo-1,3,4,5,6,7-hexahydro-2-benzofuran-4-carboxylate
Wiley ID 1523866