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1-(acetoxymethyl)-5H-triazolo[5,1-a][2]benzazepine-6-carboxylic acid methyl ester
SpectraBase Compound ID IQlPEkbwIYD
InChI InChI=1S/C16H15N3O4/c1-10(20)23-9-14-15-13-6-4-3-5-11(13)7-12(16(21)22-2)8-19(15)18-17-14/h3-7H,8-9H2,1-2H3
InChIKey AGBMMPABODAODX-UHFFFAOYSA-N
Mol Weight 313.31 g/mol
Molecular Formula C16H15N3O4
Exact Mass 313.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUVge9pNlfD
Name 1-(acetoxymethyl)-5H-triazolo[5,1-a][2]benzazepine-6-carboxylic acid methyl ester
Alternate Name(s) 1-(acetyloxymethyl)-5H-triazolo[5,1-a][2]benzazepine-6-carboxylic acid methyl ester Methyl 1-(acetoxymethyl)-5H-triazolo[5,1-a][2]benzazepine-6-carboxylate Methyl 1-(acetyloxymethyl)-5H-triazolo[5,1-a][2]benzazepine-6-carboxylate
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Formula C16H15N3O4
InChI InChI=1S/C16H15N3O4/c1-10(20)23-9-14-15-13-6-4-3-5-11(13)7-12(16(21)22-2)8-19(15)18-17-14/h3-7H,8-9H2,1-2H3
InChIKey AGBMMPABODAODX-UHFFFAOYSA-N
Molecular Weight 313.313 g/mol
SMILES c-12[n](nnc2COC(=O)C)CC(=Cc2c1cccc2)C(=O)OC
SPLASH splash10-00di-0291000000-ae6b4a3873b7ce8c8c34
Source of Spectrum AJ-41-616-5
Wiley ID 1567595