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(11aS)-7,8-(Methylenedioxy)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
SpectraBase Compound ID 57jFzuVuwtp
InChI InChI=1S/C13H12N2O3/c16-13-9-4-11-12(18-7-17-11)5-10(9)14-6-8-2-1-3-15(8)13/h4-6,8H,1-3,7H2/t8-/m0/s1
InChIKey LJQHROIYHMPJHS-QMMMGPOBSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Juu8xWUHewc
Name (11aS)-7,8-(Methylenedioxy)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Alternate Name(s) (6aS)-6a,7,8,9-tetrahydro-11H-[1,3]dioxolo[4,5-h]pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c16-13-9-4-11-12(18-7-17-11)5-10(9)14-6-8-2-1-3-15(8)13/h4-6,8H,1-3,7H2/t8-/m0/s1
InChIKey LJQHROIYHMPJHS-QMMMGPOBSA-N
Molecular Weight 244.250 g/mol
SMILES C1=Nc2c(C(N3[C@]1(CCC3)[H])=O)cc1c(c2)OCO1
SPLASH splash10-0006-0290000000-ca137b403cfecb5afbcb
Source of Spectrum F2-42-1960-23
Wiley ID 1600170