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methyl 2-(benzotriazol-1-yl)-2-(p-tolyl)acetate
SpectraBase Compound ID HD6KFquaBzF
InChI InChI=1S/C16H15N3O2/c1-11-7-9-12(10-8-11)15(16(20)21-2)19-14-6-4-3-5-13(14)17-18-19/h3-10,15H,1-2H3
InChIKey SNPUDRRTGSVVPU-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C16H15N3O2
Exact Mass 281.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kkXAMz0kNa
Name methyl 2-(benzotriazol-1-yl)-2-(p-tolyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O2
InChI InChI=1S/C16H15N3O2/c1-11-7-9-12(10-8-11)15(16(20)21-2)19-14-6-4-3-5-13(14)17-18-19/h3-10,15H,1-2H3
InChIKey SNPUDRRTGSVVPU-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Quality 843
SMILES C1=2N(N=NC2C=CC=C1)C(C(OC)=O)C1=CC=C(C=C1)C
SPLASH splash10-0006-2920000000-e9302dd5f845b8be3dd4
Source of Spectrum ACI-57-SM153-153-2 (DOI: 10.1002/anie.201807039)
Wiley ID 1896795