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4H-Pyrazolo[1,5-a]azepine-2-carboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, methyl ester
SpectraBase Compound ID AjfOuxtIS5n
InChI InChI=1S/C10H12N2O3/c1-15-10(14)8-6-7-4-2-3-5-9(13)12(7)11-8/h6H,2-5H2,1H3
InChIKey PKBXILIHUJOBCL-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxdViDvIGEK
Name 4H-Pyrazolo[1,5-a]azepine-2-carboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, methyl ester
Alternate Name(s) Methyl 8-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylate Methyl(2-oxo-1,10-diazabicyclo[5.3.0]deca-7,9-dien-9-carboxylate)
CAS Registry Number 55300-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O3
InChI InChI=1S/C10H12N2O3/c1-15-10(14)8-6-7-4-2-3-5-9(13)12(7)11-8/h6H,2-5H2,1H3
InChIKey PKBXILIHUJOBCL-UHFFFAOYSA-N
Molecular Weight 208.217 g/mol
SMILES c12[n](nc(c2)C(=O)OC)C(CCCC1)=O
SPLASH splash10-0kmj-2900000000-1b5dbc74c1919af363d4
Source of Spectrum U-74-1708-44
Wiley ID 1206420