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6-(hydroxyamino)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-11-thione
SpectraBase Compound ID IwhBaCjRsod
InChI InChI=1S/C12H13N3OS/c16-14-11-10-6-3-7-15(10)12(17)8-4-1-2-5-9(8)13-11/h1-2,4-5,10,16H,3,6-7H2,(H,13,14)
InChIKey AHDCXYWPCWZGNV-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3s5qevxnirf
Name 6-(hydroxyamino)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-11-thione
Alternate Name(s) 6-(oxidanylamino)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-11-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3OS
InChI InChI=1S/C12H13N3OS/c16-14-11-10-6-3-7-15(10)12(17)8-4-1-2-5-9(8)13-11/h1-2,4-5,10,16H,3,6-7H2,(H,13,14)
InChIKey AHDCXYWPCWZGNV-UHFFFAOYSA-N
Molecular Weight 247.316 g/mol
SMILES O\N=C/1C2N(C(c3c(N1)cccc3)=S)CCC2
SPLASH splash10-0002-0390000000-7a11be65114473f15d87
Source of Spectrum Y-34-450-28
Wiley ID 1249836