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(2R,11AS)-7-METHYL-2-METHYLSULFONYLOXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE

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(2R,11AS)-7-METHYL-2-METHYLSULFONYLOXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE
SpectraBase Compound ID DAnvDs6pX3x
InChI InChI=1S/C14H16N2O5S/c1-8-3-4-11-10(5-8)14(18)16-7-9(21-22(2,19)20)6-12(16)13(17)15-11/h3-5,9,12H,6-7H2,1-2H3,(H,15,17)/t9-,12+/m1/s1
InChIKey PJXNVBUOYLAGIB-SKDRFNHKSA-N
Mol Weight 324.35 g/mol
Molecular Formula C14H16N2O5S
Exact Mass 324.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6YYR9v0pON
Name (2R,11aS)-7-Methyl-2-methylsulfonyloxy-1,2,3,10,11,11a-hexahydropyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O5S
InChI InChI=1S/C14H16N2O5S/c1-8-3-4-11-10(5-8)14(18)16-7-9(21-22(2,19)20)6-12(16)13(17)15-11/h3-5,9,12H,6-7H2,1-2H3,(H,15,17)/t9-,12+/m1/s1
InChIKey PJXNVBUOYLAGIB-SKDRFNHKSA-N
Molecular Weight 324.351 g/mol
SMILES N1c2c(C(N3[C@](C1=O)(C[C@](C3)(OS(=O)(=O)C)[H])[H])=O)cc(cc2)C
SPLASH splash10-00b9-0098000000-4c3201563730e50acac1
Source of Spectrum H1-51-1265-20
Synonyms (2R,11aS)-7-methyl-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl methanesulfonate methanesulfonic acid[(6aS,8R)-2-methyl-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]ester methanesulfonic acid[(6aS,8R)-6,11-diketo-2-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]ester [(6aS,8R)-2-methyl-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonate [(6aS,8R)-2-methyl-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonate methanesulfonic acid [(6aS,8R)-2-methyl-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl] ester [(6aS,8R)-2-methyl-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl] methanesulfonate [(6aS,8R)-2-methyl-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl] methanesulfonate
Wiley ID 817120