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4-(Benzo[b]thiophene-5-carbonyl)benzonitrile
SpectraBase Compound ID 5QLAECV8ekG
InChI InChI=1S/C16H9NOS/c17-10-11-1-3-12(4-2-11)16(18)14-5-6-15-13(9-14)7-8-19-15/h1-9H
InChIKey PUESQVFPNKQVKZ-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C16H9NOS
Exact Mass 263.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtBfimHUGh
Name 4-(Benzo[b]thiophene-5-carbonyl)benzonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.040485087 u
Formula C16H9NOS
InChI InChI=1S/C16H9NOS/c17-10-11-1-3-12(4-2-11)16(18)14-5-6-15-13(9-14)7-8-19-15/h1-9H
InChIKey PUESQVFPNKQVKZ-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102805
Molecular Weight 263.314 g/mol
Quality 119
Reported Formula C16H9ONS
SMILES C1=C(C=CC=2SC=CC12)C(=O)C1=CC=C(C=C1)C#N
SPLASH splash10-03di-1920000000-2ec9b72ab4a82294d94e
Source of Spectrum QE-27-SM54-12ag (DOI: 10.1002/chem.202102805)
Wiley ID 1902216