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(9aS)-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[1,2-a][1,4]diazepine-1,5-dione
SpectraBase Compound ID KbDSc8Q3zWZ
InChI InChI=1S/C8H12N2O2/c11-7-3-4-9-8(12)6-2-1-5-10(6)7/h6H,1-5H2,(H,9,12)/t6-/m0/s1
InChIKey IVSUXHRSHLSJKS-LURJTMIESA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uPgYDu4ueU
Name (9aS)-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[1,2-a][1,4]diazepine-1,5-dione
Alternate Name(s) (9aS)-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[1,2-a][1,4]diazepine-1,5-quinone
CAS Registry Number 82939-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c11-7-3-4-9-8(12)6-2-1-5-10(6)7/h6H,1-5H2,(H,9,12)/t6-/m0/s1
InChIKey IVSUXHRSHLSJKS-LURJTMIESA-N
Molecular Weight 168.196 g/mol
SMILES N1CCC(N2[C@](C1=O)(CCC2)[H])=O
SPLASH splash10-00di-9600000000-1df9062070df9b31d52b
Source of Spectrum KC-1982-1315-0
Wiley ID 1164163