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2-(2-(4-Oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-3 carbonyl)phenyl) isoindoline-1,3-dione
SpectraBase Compound ID 1EoxKhR02Y5
InChI InChI=1S/C23H13N3O4S/c27-19-13-7-1-2-8-14(13)20(28)25(19)18-12-6-4-10-16(18)22(30)26-21(29)15-9-3-5-11-17(15)24-23(26)31/h1-12H,(H,24,31)
InChIKey KGETWHUZCCUWCH-UHFFFAOYSA-N
Mol Weight 427.43 g/mol
Molecular Formula C23H13N3O4S
Exact Mass 427.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aZHdDpKu8
Name 2-(2-(4-Oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-3 carbonyl)phenyl) isoindoline-1,3-dione
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H13N3O4S
InChI InChI=1S/C23H13N3O4S/c27-19-13-7-1-2-8-14(13)20(28)25(19)18-12-6-4-10-16(18)22(30)26-21(29)15-9-3-5-11-17(15)24-23(26)31/h1-12H,(H,24,31)
InChIKey KGETWHUZCCUWCH-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 427.434 g/mol
SMILES N1c2c(C(N(C1=S)C(c1c(N3C(c4ccccc4C3=O)=O)cccc1)=O)=O)cccc2
SPLASH splash10-0f6x-8290000000-b1055e3cae64c847aec7
Source of Spectrum Y-53-490-3
Wiley ID 1877618