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Acetic acid (R)-4-(3-bromo-benzo[b]thiophen-2-yl)-4-hydroxy-2-oxo-butyl ester
SpectraBase Compound ID 2ctITpOmhVy
InChI InChI=1S/C14H13BrO4S/c1-8(16)19-7-9(17)6-11(18)14-13(15)10-4-2-3-5-12(10)20-14/h2-5,11,18H,6-7H2,1H3/t11-/m1/s1
InChIKey IWBRTXKQYJZXTL-LLVKDONJSA-N
Mol Weight 357.22 g/mol
Molecular Formula C14H13BrO4S
Exact Mass 355.971793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67OIDCCBs0V
Name Acetic acid (R)-4-(3-bromo-benzo[b]thiophen-2-yl)-4-hydroxy-2-oxo-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13BrO4S
InChI InChI=1S/C14H13BrO4S/c1-8(16)19-7-9(17)6-11(18)14-13(15)10-4-2-3-5-12(10)20-14/h2-5,11,18H,6-7H2,1H3/t11-/m1/s1
InChIKey IWBRTXKQYJZXTL-LLVKDONJSA-N
Molecular Weight 357.218 g/mol
SMILES O[C@@](c1sc2ccccc2c1Br)(CC(=O)COC(=O)C)[H]
SPLASH splash10-0006-3069000000-bf7abf3fbc143c36bf9f
Source of Spectrum F-68-4780-5d
Wiley ID 1708986