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(E)-N-((1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl)-2-(non-2-en-1-yl)benzamide
SpectraBase Compound ID JZwtrBSFVfn
InChI InChI=1S/C25H38N4O/c1-3-5-7-9-10-11-12-16-22-17-13-14-18-24(22)25(30)26-20-23-21-29(28-27-23)19-15-8-6-4-2/h11-14,17-18,21H,3-10,15-16,19-20H2,1-2H3,(H,26,30)/b12-11+
InChIKey WNMKKCKPCOUSSY-VAWYXSNFSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H38N4O
Exact Mass 410.304562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H66zYTsIcOG
Name (E)-N-((1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl)-2-(non-2-en-1-yl)benzamide
Appearance Colorless oil
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Exact Mass 410.304561859 u
Formula C25H38N4O
InChI InChI=1S/C25H38N4O/c1-3-5-7-9-10-11-12-16-22-17-13-14-18-24(22)25(30)26-20-23-21-29(28-27-23)19-15-8-6-4-2/h11-14,17-18,21H,3-10,15-16,19-20H2,1-2H3,(H,26,30)/b12-11+
InChIKey WNMKKCKPCOUSSY-VAWYXSNFSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801324
Molecular Weight 410.606 g/mol
Quality 35
Reported Formula C25H38N4O
SMILES N(C(C=1C=CC=CC1C\C=C\CCCCCC)=O)CC1=CN(CCCCCC)N=N1
SPLASH splash10-01ox-0902100000-afea28b0fb0e02578e32
Source of Spectrum ACI-57-SM26-3ap' (DOI: 10.1002/anie.201801324)
Wiley ID 1891073