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4-Cyano-N-(1,3-dioxoisoindolin-2-yl)-1-oxo-1H-benzo[4,5]thiazolo[3,2-a]pyridine-2-carboxamide
SpectraBase Compound ID 2luQTNssWb2
InChI InChI=1S/C21H10N4O4S/c22-10-11-9-14(18(27)24-15-7-3-4-8-16(15)30-21(11)24)17(26)23-25-19(28)12-5-1-2-6-13(12)20(25)29/h1-9H,(H,23,26)
InChIKey PERQLPHCVNLHIL-UHFFFAOYSA-N
Mol Weight 414.4 g/mol
Molecular Formula C21H10N4O4S
Exact Mass 414.042276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqFzie8xpwN
Name 4-Cyano-N-(1,3-dioxoisoindolin-2-yl)-1-oxo-1H-benzo[4,5]thiazolo[3,2-a]pyridine-2-carboxamide
Appearance Reddish brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H10N4O4S
InChI InChI=1S/C21H10N4O4S/c22-10-11-9-14(18(27)24-15-7-3-4-8-16(15)30-21(11)24)17(26)23-25-19(28)12-5-1-2-6-13(12)20(25)29/h1-9H,(H,23,26)
InChIKey PERQLPHCVNLHIL-UHFFFAOYSA-N
Instrument Name Schimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3624
Molecular Weight 414.395 g/mol
SMILES N(C(C1=CC(=C2Sc3ccccc3N2C1=O)C#N)=O)N1C(c2c(C1=O)cccc2)=O
SPLASH splash10-0459-9300000000-f947f0122d7a5cea21a1
Source of Spectrum Y-56-SM6-11
Wiley ID 1861226