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2-(1,3-Dioxoisoindolin-2-yl)benzoyl isothiocyanate
SpectraBase Compound ID BCzt2lE0C64
InChI InChI=1S/C16H8N2O3S/c19-14(17-9-22)12-7-3-4-8-13(12)18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8H
InChIKey QVLOSQBGGAEVPR-UHFFFAOYSA-N
Mol Weight 308.31 g/mol
Molecular Formula C16H8N2O3S
Exact Mass 308.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9L7JtmPzsnb
Name 2-(1,3-Dioxoisoindolin-2-yl)benzoyl isothiocyanate
Appearance Yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8N2O3S
InChI InChI=1S/C16H8N2O3S/c19-14(17-9-22)12-7-3-4-8-13(12)18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8H
InChIKey QVLOSQBGGAEVPR-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 308.311 g/mol
SMILES c1cc2c(cc1)C(N(C2=O)c1c(cccc1)C(=O)N=C=S)=O
SPLASH splash10-0umi-3490000000-72f165860cbc5061f736
Source of Spectrum Y-53-490-1
Wiley ID 1877617