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9H-Benzo[de]pyrrolo[3,4-c]isoquinoline-1,3(2H,3aH)-dione, 4,5,10,11-tetrahydro-5-thioxo-
SpectraBase Compound ID ELi7yBDiSjK
InChI InChI=1S/C14H12N2O2S/c17-12-11-14(13(18)16-12)5-9(19)4-7-2-1-3-8(6-15-11)10(7)14/h1-2,4,11,15H,3,5-6H2,(H,16,17,18)
InChIKey QPELPPXKILEWGB-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C14H12N2O2S
Exact Mass 272.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGtfrm1fLi8
Name 9H-Benzo[de]pyrrolo[3,4-c]isoquinoline-1,3(2H,3aH)-dione, 4,5,10,11-tetrahydro-5-thioxo-
CAS Registry Number 78287-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2S
InChI InChI=1S/C14H12N2O2S/c17-12-11-14(13(18)16-12)5-9(19)4-7-2-1-3-8(6-15-11)10(7)14/h1-2,4,11,15H,3,5-6H2,(H,16,17,18)
InChIKey QPELPPXKILEWGB-UHFFFAOYSA-N
Molecular Weight 272.322 g/mol
SMILES N1C(C2C3(C1=O)C=1C(C=CCC1CN2)=CC(C3)=S)=O
SPLASH splash10-0uk9-0390000000-4b940fada9dde589ee62
Source of Spectrum Y-18-82-0
Synonyms 10-thioxo-4,5,10,11-tetrahydro-6H-benzo[de]pyrrolo[3,4-c]isoquinoline-1,3(2H,3aH)-dione 3a,4,10,11-tetrahydro-5-thioxo-9H-benzo[de]pyrrolo[3,4-c]isoquinoline-1,3-(2H)dione
Wiley ID 1275951