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Ethyl 4-(4-butyl-1-m-tolyl-1H-1,2,3-triazol-5-yl)benzoate
SpectraBase Compound ID 1nBpEVTy704
InChI InChI=1S/C22H25N3O2/c1-4-6-10-20-21(17-11-13-18(14-12-17)22(26)27-5-2)25(24-23-20)19-9-7-8-16(3)15-19/h7-9,11-15H,4-6,10H2,1-3H3
InChIKey MCFXMTCXBXUPPI-UHFFFAOYSA-N
Mol Weight 363.46 g/mol
Molecular Formula C22H25N3O2
Exact Mass 363.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5L5hJ9tMrvW
Name Ethyl 4-(4-butyl-1-m-tolyl-1H-1,2,3-triazol-5-yl)benzoate
Alternate Name(s) Ethyl 4-(4-butyl-1-(m-tolyl)-1H-1,2,3-triazol-5-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O2
InChI InChI=1S/C22H25N3O2/c1-4-6-10-20-21(17-11-13-18(14-12-17)22(26)27-5-2)25(24-23-20)19-9-7-8-16(3)15-19/h7-9,11-15H,4-6,10H2,1-3H3
InChIKey MCFXMTCXBXUPPI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800016
Molecular Weight 363.461 g/mol
SMILES C(c1ccc(cc1)-c1c(nn[n]1-c1cc(ccc1)C)CCCC)(=O)OCC
SPLASH splash10-0006-4593000000-4b1997732bdd1ffabfe2
Source of Spectrum ASC-350-741/SM14-3ao
Wiley ID 1766126