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methyl 2-(benzotriazol-1-yl)-3-phenyl-propanoate
SpectraBase Compound ID D2NHuYyCIOZ
InChI InChI=1S/C16H15N3O2/c1-21-16(20)15(11-12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-10,15H,11H2,1H3
InChIKey VJSRYJWYTIVEPQ-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 1n9trvfXN2
Name methyl 2-(benzotriazol-1-yl)-3-phenyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O2
InChI InChI=1S/C16H15N3O2/c1-21-16(20)15(11-12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-10,15H,11H2,1H3
InChIKey VJSRYJWYTIVEPQ-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Quality 833
SMILES C1=2N(N=NC2C=CC=C1)C(C(OC)=O)CC1=CC=CC=C1
SPLASH splash10-0006-4900000000-50282161b4e26c4e3fa9
Source of Spectrum ACI-57-SM159-159-2 (DOI: 10.1002/anie.201807039)
Wiley ID 1896800