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6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 1,2,3,4,9,10-hexahydro-6,10-dioxo-, methyl ester, (S)-
SpectraBase Compound ID 3aoo2iHvYxb
InChI InChI=1S/C11H14N2O4/c1-17-11(16)8-4-3-7-12-9(14)5-2-6-10(15)13(8)12/h2,5,8H,3-4,6-7H2,1H3/t8-/m0/s1
InChIKey GAGVPFOYOZSUMI-QMMMGPOBSA-N
Mol Weight 238.24 g/mol
Molecular Formula C11H14N2O4
Exact Mass 238.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hnab8XdpdT6
Name 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 1,2,3,4,9,10-hexahydro-6,10-dioxo-, methyl ester, (S)-
Alternate Name(s) (1S)-methyl 1,2,3,4,9,10-hexahydro-6,10-dioxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate methyl (1S)-6,10-dioxo-1,2,3,4,9,10-hexahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
CAS Registry Number 106860-18-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O4
InChI InChI=1S/C11H14N2O4/c1-17-11(16)8-4-3-7-12-9(14)5-2-6-10(15)13(8)12/h2,5,8H,3-4,6-7H2,1H3/t8-/m0/s1
InChIKey GAGVPFOYOZSUMI-QMMMGPOBSA-N
Molecular Weight 238.243 g/mol
SMILES C1(N2N(C(CC=C1)=O)[C@@](CCC2)(C(=O)OC)[H])=O
SPLASH splash10-004r-0970000000-4f2615aa563691167ea4
Source of Spectrum KC-1986-1017-12
Wiley ID 1240158