For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,2,3,11a-Tetrahydro-2-methylsulfonyloxy-11-methylamino-5H-pyrrolo[2,1-c][1,4]diazepin-5-one
SpectraBase Compound ID 5HLmsZAyhla
InChI InChI=1S/C14H17N3O4S/c1-15-13-12-7-9(21-22(2,19)20)8-17(12)14(18)10-5-3-4-6-11(10)16-13/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)
InChIKey KQPOYMIMGPJTON-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C14H17N3O4S
Exact Mass 323.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3lgxRNyqRAu
Name 1,2,3,11a-Tetrahydro-2-methylsulfonyloxy-11-methylamino-5H-pyrrolo[2,1-c][1,4]diazepin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O4S
InChI InChI=1S/C14H17N3O4S/c1-15-13-12-7-9(21-22(2,19)20)8-17(12)14(18)10-5-3-4-6-11(10)16-13/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)
InChIKey KQPOYMIMGPJTON-UHFFFAOYSA-N
Molecular Weight 323.367 g/mol
SMILES N(C1=Nc2c(C(N3C1CC(C3)OS(=O)(=O)C)=O)cccc2)C
SPLASH splash10-00di-0149000000-6ee891c9b102c6513df1
Source of Spectrum Y-34-1187-9
Synonyms 11-(methylamino)-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl methanesulfonate
Wiley ID 1322314