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3-(4-((4-(hydroxy(3,4,5-trimethoxyphenyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol

View entire compound with spectra: 1 MS (GC)

3-(4-((4-(hydroxy(3,4,5-trimethoxyphenyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
SpectraBase Compound ID EdSfyvMitXL
InChI InChI=1S/C31H33N3O8/c1-37-25-13-21(14-26(38-2)30(25)41-5)24(35)12-11-19-7-9-20(10-8-19)17-34-18-23(32-33-34)29(36)22-15-27(39-3)31(42-6)28(16-22)40-4/h7-10,13-16,18,24,29,35-36H,17H2,1-6H3
InChIKey UNGPZSSYGZISSO-UHFFFAOYSA-N
Mol Weight 575.6 g/mol
Molecular Formula C31H33N3O8
Exact Mass 575.226765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Fu2hygWlvQ
Name 3-(4-((4-(hydroxy(3,4,5-trimethoxyphenyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33N3O8
InChI InChI=1S/C31H33N3O8/c1-37-25-13-21(14-26(38-2)30(25)41-5)24(35)12-11-19-7-9-20(10-8-19)17-34-18-23(32-33-34)29(36)22-15-27(39-3)31(42-6)28(16-22)40-4/h7-10,13-16,18,24,29,35-36H,17H2,1-6H3
InChIKey UNGPZSSYGZISSO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900680
Molecular Weight 575.618 g/mol
SMILES OC(C#Cc1ccc(C[n]2nnc(C(O)c3cc(c(c(c3)OC)OC)OC)c2)cc1)c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-004i-0804090000-b31c989109010e7de3f1
Source of Spectrum ASC-352-1179/SM31-58
Wiley ID 1764388