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rac-3-(Benzo[b]thiophen-2-yl)-3-hydroxypropanoic acid
SpectraBase Compound ID JlY8QJhcsQf
InChI InChI=1S/C11H10O3S/c12-8(6-11(13)14)10-5-7-3-1-2-4-9(7)15-10/h1-5,8,12H,6H2,(H,13,14)
InChIKey KHDNHZGTVVIDCC-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hBPv7XXJGc
Name rac-3-(Benzo[b]thiophen-2-yl)-3-hydroxypropanoic acid
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c12-8(6-11(13)14)10-5-7-3-1-2-4-9(7)15-10/h1-5,8,12H,6H2,(H,13,14)
InChIKey KHDNHZGTVVIDCC-UHFFFAOYSA-N
Molecular Weight 222.258 g/mol
SMILES OC(CC(c1sc2ccccc2c1)O)=O
SPLASH splash10-0006-9000000000-1b93374b0e0dec83f81b
Source of Spectrum QC-20-495-4b
Wiley ID 1688092