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1,2,3,4-tetrahydro-N-(4-methylphenyl)dibenzothiophene-2,3-dicarboximidene
SpectraBase Compound ID 2AIXDUtQuAM
InChI InChI=1S/C21H17NO2S/c1-12-6-8-13(9-7-12)22-20(23)16-10-15-14-4-2-3-5-18(14)25-19(15)11-17(16)21(22)24/h2-9,16-17H,10-11H2,1H3
InChIKey QSGGEXHTZOGMQR-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C21H17NO2S
Exact Mass 347.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJp2UcMLMUD
Name 1,2,3,4-tetrahydro-N-(4-methylphenyl)dibenzothiophene-2,3-dicarboximidene
CAS Registry Number 113354-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO2S
InChI InChI=1S/C21H17NO2S/c1-12-6-8-13(9-7-12)22-20(23)16-10-15-14-4-2-3-5-18(14)25-19(15)11-17(16)21(22)24/h2-9,16-17H,10-11H2,1H3
InChIKey QSGGEXHTZOGMQR-UHFFFAOYSA-N
Molecular Weight 347.432 g/mol
SMILES C1(N(C(C2Cc3c4c(sc3CC12)cccc4)=O)c1ccc(cc1)C)=O
SPLASH splash10-001a-0902000000-7521e78fe8539f6f45cd
Source of Spectrum K-121-1204-5
Synonyms 2-(4-Methylphenyl)-3a,4,10,10a-tetrahydro-1H-[1]benzothieno[2,3-f]isoindole-1,3(2H)-dione
Wiley ID 1340079