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4H-Pyrazolo[1,5-a]azepine-2,3-dicarboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, dimethyl ester
SpectraBase Compound ID 3RXEQXjJOPH
InChI InChI=1S/C12H14N2O5/c1-18-11(16)9-7-5-3-4-6-8(15)14(7)13-10(9)12(17)19-2/h3-6H2,1-2H3
InChIKey SAJMCKNCNHSYDH-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C12H14N2O5
Exact Mass 266.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B38xUV7uipc
Name 4H-Pyrazolo[1,5-a]azepine-2,3-dicarboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, dimethyl ester
Alternate Name(s) Dimethyl (2-oxo-1,10-diazabicyclo(5.3.0)deca-7,9-dien-8,9-dicarboxylate) Dimethyl 8-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2,3-dicarboxylate
CAS Registry Number 41482-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O5
InChI InChI=1S/C12H14N2O5/c1-18-11(16)9-7-5-3-4-6-8(15)14(7)13-10(9)12(17)19-2/h3-6H2,1-2H3
InChIKey SAJMCKNCNHSYDH-UHFFFAOYSA-N
Molecular Weight 266.253 g/mol
SMILES c1(c(c2CCCCC([n]2n1)=O)C(=O)OC)C(=O)OC
SPLASH splash10-003r-1970000000-81d23fb728fdbb207ab9
Source of Spectrum U-74-1706-32
Wiley ID 1269576