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1H-1,2,3-benzotriazole-1-butanoic acid, .gamma.,.gamma.-dimethyl-.beta.-oxo-, methyl ester
SpectraBase Compound ID LGAk0K1Ljqp
InChI InChI=1S/C13H15N3O3/c1-13(2,11(17)8-12(18)19-3)16-10-7-5-4-6-9(10)14-15-16/h4-7H,8H2,1-3H3
InChIKey ARBNCFCBDHWWIN-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C13H15N3O3
Exact Mass 261.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2We6aIhgDWt
Name 1H-1,2,3-benzotriazole-1-butanoic acid, .gamma.,.gamma.-dimethyl-.beta.-oxo-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O3
InChI InChI=1S/C13H15N3O3/c1-13(2,11(17)8-12(18)19-3)16-10-7-5-4-6-9(10)14-15-16/h4-7H,8H2,1-3H3
InChIKey ARBNCFCBDHWWIN-UHFFFAOYSA-N
Molecular Weight 261.281 g/mol
SMILES COC(=O)CC(=O)C(C)(C)[n]1nnc2ccccc12
SPLASH splash10-02u0-3900000000-cf7ee97079d207404050
Source of Spectrum JX-2015-2-121
Synonyms Methyl 4-(1H-benzo[d][1,2,3]triazol-1-yl)-4-methyl-3-oxopentanoate Methyl 4-(1H-benzotriazol-1-yl)-4-methyl-3-oxopentanoate 4-(1-benzotriazolyl)-4-methyl-3-oxopentanoic acid methyl ester Methyl 4-(benzotriazol-1-yl)-4-methyl-3-oxopentanoate Methyl 4-(benzotriazol-1-yl)-4-methyl-3-oxo-pentanoate Methyl 4-(benzotriazol-1-yl)-4-methyl-3-oxidanylidene-pentanoate
Wiley ID 1721875