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2-(Ethoxycarbonyl)-1-(benzo[b]thiophen-2-yl)-ethyl butyrate
SpectraBase Compound ID IkoXa7wInK7
InChI InChI=1S/C17H20O4S/c1-3-7-16(18)21-13(11-17(19)20-4-2)15-10-12-8-5-6-9-14(12)22-15/h5-6,8-10,13H,3-4,7,11H2,1-2H3
InChIKey XNBKVGMZFQGWII-UHFFFAOYSA-N
Mol Weight 320.4 g/mol
Molecular Formula C17H20O4S
Exact Mass 320.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lQAOAZBRTY
Name 2-(Ethoxycarbonyl)-1-(benzo[b]thiophen-2-yl)-ethyl butyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4S
InChI InChI=1S/C17H20O4S/c1-3-7-16(18)21-13(11-17(19)20-4-2)15-10-12-8-5-6-9-14(12)22-15/h5-6,8-10,13H,3-4,7,11H2,1-2H3
InChIKey XNBKVGMZFQGWII-UHFFFAOYSA-N
Molecular Weight 320.403 g/mol
SMILES c1(sc2ccccc2c1)C(CC(=O)OCC)OC(=O)CCC
SPLASH splash10-0006-9000000000-f1e04f490dcd45dd116c
Source of Spectrum QC-20-494-3b
Wiley ID 1688096