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methyl (E)-2-(benzotriazol-1-yl)-4-phenyl-but-3-enoate
SpectraBase Compound ID 8yZfg7psT6B
InChI InChI=1S/C17H15N3O2/c1-22-17(21)16(12-11-13-7-3-2-4-8-13)20-15-10-6-5-9-14(15)18-19-20/h2-12,16H,1H3/b12-11+
InChIKey HCEHQRPJZVRYKN-VAWYXSNFSA-N
Mol Weight 293.33 g/mol
Molecular Formula C17H15N3O2
Exact Mass 293.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2elW6PASWG
Name methyl (E)-2-(benzotriazol-1-yl)-4-phenyl-but-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3O2
InChI InChI=1S/C17H15N3O2/c1-22-17(21)16(12-11-13-7-3-2-4-8-13)20-15-10-6-5-9-14(15)18-19-20/h2-12,16H,1H3/b12-11+
InChIKey HCEHQRPJZVRYKN-VAWYXSNFSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Quality 310
SMILES C1=2N(N=NC2C=CC=C1)C(C(=O)OC)\C=C\C1=CC=CC=C1
SPLASH splash10-0ldi-3980000000-97b86b89b1736e3685af
Source of Spectrum ACI-57-SM164-164-1 (DOI: 10.1002/anie.201807039)
Wiley ID 1896803