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1,2,5,10,11,11a-Hexahydro-11a-methyl-11-thioxo-3H-pyrrolo[2,1-c]benzo-(1,4)-diazepin-5-one
SpectraBase Compound ID 82g9nRRHuoL
InChI InChI=1S/C13H14N2OS/c1-13-7-4-8-15(13)11(16)9-5-2-3-6-10(9)14-12(13)17/h2-3,5-6H,4,7-8H2,1H3,(H,14,17)
InChIKey RCCGLRMOOBVBTA-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHtz2Mhas6c
Name 1,2,5,10,11,11a-Hexahydro-11a-methyl-11-thioxo-3H-pyrrolo[2,1-c]benzo-(1,4)-diazepin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2OS
InChI InChI=1S/C13H14N2OS/c1-13-7-4-8-15(13)11(16)9-5-2-3-6-10(9)14-12(13)17/h2-3,5-6H,4,7-8H2,1H3,(H,14,17)
InChIKey RCCGLRMOOBVBTA-UHFFFAOYSA-N
Molecular Weight 246.328 g/mol
SMILES N1c2c(C(N3C(C1=S)(CCC3)C)=O)cccc2
SPLASH splash10-001i-9020000000-fb813dcedc441c211cb9
Source of Spectrum H-2005-1787-7
Synonyms 11a-methyl-11-thioxo-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Wiley ID 1562654