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4-(2-Bromobenzyl)-3-(o-tolyl)-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

4-(2-Bromobenzyl)-3-(o-tolyl)-1,2,4-triazole
SpectraBase Compound ID ADVMSPEvDDz
InChI InChI=1S/C16H14BrN3/c1-12-6-2-4-8-14(12)16-19-18-11-20(16)10-13-7-3-5-9-15(13)17/h2-9,11H,10H2,1H3
InChIKey ZJKVTBQIFHWURL-UHFFFAOYSA-N
Mol Weight 328.21 g/mol
Molecular Formula C16H14BrN3
Exact Mass 327.03711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ir4VnmN1uoM
Name 4-(2-Bromobenzyl)-3-(o-tolyl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrN3
InChI InChI=1S/C16H14BrN3/c1-12-6-2-4-8-14(12)16-19-18-11-20(16)10-13-7-3-5-9-15(13)17/h2-9,11H,10H2,1H3
InChIKey ZJKVTBQIFHWURL-UHFFFAOYSA-N
Molecular Weight 328.213 g/mol
SMILES c1(nnc[n]1Cc1c(cccc1)Br)-c1c(cccc1)C
SPLASH splash10-054k-4964000000-aa36188cbcbd0e1e9b26
Source of Spectrum KC-60-860-3
Synonyms 4-[(2-bromophenyl)methyl]-3-(2-methylphenyl)-1,2,4-triazole 4-[(2-bromophenyl)methyl]-3-(o-tolyl)-1,2,4-triazole
Wiley ID 1583158