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2-(2-Dibenzothiophenylmethyl)benzoic acid
SpectraBase Compound ID 1lqFX1lWUdE
InChI InChI=1S/C20H14O2S/c21-20(22)15-6-2-1-5-14(15)11-13-9-10-19-17(12-13)16-7-3-4-8-18(16)23-19/h1-10,12H,11H2,(H,21,22)
InChIKey MRUDYDSGPZICCM-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C20H14O2S
Exact Mass 318.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AyLJMdjCMt
Name 2-(2-Dibenzothiophenylmethyl)benzoic acid
Alternate Name(s) 2-(dibenzothiophen-2-ylmethyl)benzoic acid
CAS Registry Number 87643-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14O2S
InChI InChI=1S/C20H14O2S/c21-20(22)15-6-2-1-5-14(15)11-13-9-10-19-17(12-13)16-7-3-4-8-18(16)23-19/h1-10,12H,11H2,(H,21,22)
InChIKey MRUDYDSGPZICCM-UHFFFAOYSA-N
Molecular Weight 318.390 g/mol
SMILES OC(c1c(Cc2ccc3c(c2)c2c(s3)cccc2)cccc1)=O
SPLASH splash10-0v4i-0029000000-91c0eb53093d6af0fdfe
Source of Spectrum Y-20-865-0
Wiley ID 1318678