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3-Acetyl-6-chloroacetyl-2-methylbenzo[b]thiophene
SpectraBase Compound ID IICxflQCAsQ
InChI InChI=1S/C13H11ClO2S/c1-7(15)13-8(2)17-12-5-9(11(16)6-14)3-4-10(12)13/h3-5H,6H2,1-2H3
InChIKey AJPSCMZFPYAHCL-UHFFFAOYSA-N
Mol Weight 266.74 g/mol
Molecular Formula C13H11ClO2S
Exact Mass 266.016828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1GPzBBWP5J
Name 3-Acetyl-6-chloroacetyl-2-methylbenzo[b]thiophene
Alternate Name(s) 1-(3-acetyl-2-methylbenzo[b]thiophen-6-yl)-2-chloroethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClO2S
InChI InChI=1S/C13H11ClO2S/c1-7(15)13-8(2)17-12-5-9(11(16)6-14)3-4-10(12)13/h3-5H,6H2,1-2H3
InChIKey AJPSCMZFPYAHCL-UHFFFAOYSA-N
Molecular Weight 266.742 g/mol
SMILES c1(c(sc2c1ccc(C(=O)CCl)c2)C)C(=O)C
SPLASH splash10-0159-0490000000-d9f22f6b74915ca4dee6
Source of Spectrum HC-47-171-7a
Wiley ID 1739508