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Pyrazolo[1,5-a]azocine-2,3-dicarboxylic acid, 4,5,6,7,8,9-hexahydro-9-oxo-, dimethyl ester
SpectraBase Compound ID 7cIGKuMPvr2
InChI InChI=1S/C13H16N2O5/c1-19-12(17)10-8-6-4-3-5-7-9(16)15(8)14-11(10)13(18)20-2/h3-7H2,1-2H3
InChIKey QNWXPJDWIYKSQA-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G49Jd8pNG97
Name Pyrazolo[1,5-a]azocine-2,3-dicarboxylic acid, 4,5,6,7,8,9-hexahydro-9-oxo-, dimethyl ester
Alternate Name(s) Dimethyl 2-oxo-1,11-diazabicyclo(6.3.0)undeca-8,10-dien-9,10-dicarboxylate Dimethyl 9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]azocine-2,3-dicarboxylate
CAS Registry Number 55299-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-19-12(17)10-8-6-4-3-5-7-9(16)15(8)14-11(10)13(18)20-2/h3-7H2,1-2H3
InChIKey QNWXPJDWIYKSQA-UHFFFAOYSA-N
Molecular Weight 280.280 g/mol
SMILES c1(c(c2CCCCCC([n]2n1)=O)C(=O)OC)C(=O)OC
SPLASH splash10-05r1-5970000000-1e4bdbe5dac40f655756
Source of Spectrum U-74-1706-33
Wiley ID 1283521