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(S,S)-3,5-Bis(1-hydroxyethyl)-2-(p-dodecyloxybenzyl)-1,2,4-triazole
SpectraBase Compound ID IIxh0YWNMHT
InChI InChI=1S/C25H41N3O3/c1-4-5-6-7-8-9-10-11-12-13-18-31-23-16-14-22(15-17-23)19-28-25(21(3)30)26-24(27-28)20(2)29/h14-17,20-21,29-30H,4-13,18-19H2,1-3H3/t20-,21-/m0/s1
InChIKey ZIIYQBBVBOCAPW-SFTDATJTSA-N
Mol Weight 431.6 g/mol
Molecular Formula C25H41N3O3
Exact Mass 431.314792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLwcKCJMw3j
Name (S,S)-3,5-Bis(1-hydroxyethyl)-2-(p-dodecyloxybenzyl)-1,2,4-triazole
Alternate Name(s) (1S)-1-{1-[4-(dodecyloxy)benzyl]-3-[(1S)-1-hydroxyethyl]-1H-1,2,4-triazol-5-yl}ethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H41N3O3
InChI InChI=1S/C25H41N3O3/c1-4-5-6-7-8-9-10-11-12-13-18-31-23-16-14-22(15-17-23)19-28-25(21(3)30)26-24(27-28)20(2)29/h14-17,20-21,29-30H,4-13,18-19H2,1-3H3/t20-,21-/m0/s1
InChIKey ZIIYQBBVBOCAPW-SFTDATJTSA-N
Molecular Weight 431.621 g/mol
SMILES O[C@](c1n[n](c([C@@](O)(C)[H])n1)Cc1ccc(cc1)OCCCCCCCCCCCC)(C)[H]
SPLASH splash10-0a4i-0930300000-0296ebe98567c6b9508f
Source of Spectrum SO-0-1093-2
Wiley ID 1545290