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(6aS)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SpectraBase Compound ID 8efIkIKgoI1
InChI InChI=1S/C12H12N2O/c15-12-10-5-1-2-6-11(10)13-8-9-4-3-7-14(9)12/h1-2,5-6,8-9H,3-4,7H2/t9-/m0/s1
InChIKey WKJBLXPYIDVHST-VIFPVBQESA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E55lxzRl5o
Name (6aS)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CAS Registry Number 72435-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c15-12-10-5-1-2-6-11(10)13-8-9-4-3-7-14(9)12/h1-2,5-6,8-9H,3-4,7H2/t9-/m0/s1
InChIKey WKJBLXPYIDVHST-VIFPVBQESA-N
Molecular Weight 200.241 g/mol
SMILES C1(N2[C@](C=Nc3c1cccc3)(CCC2)[H])=O
SPLASH splash10-0ul9-9230000000-838597906ba23ac47219
Source of Spectrum AT-34-5328-4
Synonyms (S)-1,2,3,11a-tetrahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one 5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-, (S)-
Wiley ID 852555