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N-(2-hydroxyphenylcarbamothioyl)-2-(1,3-dioxoisoindolin-2-yl)benzamide
SpectraBase Compound ID GKUusGzDAV0
InChI InChI=1S/C22H15N3O4S/c26-18-12-6-4-10-16(18)23-22(30)24-19(27)15-9-3-5-11-17(15)25-20(28)13-7-1-2-8-14(13)21(25)29/h1-12,26H,(H2,23,24,27,30)
InChIKey CXWGVSRYTDRANJ-UHFFFAOYSA-N
Mol Weight 417.44 g/mol
Molecular Formula C22H15N3O4S
Exact Mass 417.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fV88iSykoZ
Name N-(2-hydroxyphenylcarbamothioyl)-2-(1,3-dioxoisoindolin-2-yl)benzamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15N3O4S
InChI InChI=1S/C22H15N3O4S/c26-18-12-6-4-10-16(18)23-22(30)24-19(27)15-9-3-5-11-17(15)25-20(28)13-7-1-2-8-14(13)21(25)29/h1-12,26H,(H2,23,24,27,30)
InChIKey CXWGVSRYTDRANJ-UHFFFAOYSA-N
Instrument Name Kratos Model MS 25 (Magnetic Sector) or HP Model MS-5988
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2287
Molecular Weight 417.439 g/mol
SMILES N(C(c1c(N2C(c3c(cccc3)C2=O)=O)cccc1)=O)C(Nc1ccccc1O)=S
SPLASH splash10-0udi-0091000000-ecb6e922ff1de9ba58a3
Source of Spectrum Y-53-490-5b
Wiley ID 1877621