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1-Chloro-4-{[1-(2-hydroxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl]methoxy}-9H-thioxanthen-9-one
SpectraBase Compound ID AcR5y2NjIuT
InChI InChI=1S/C24H18ClN3O3S/c25-18-10-11-20(24-22(18)23(30)17-8-4-5-9-21(17)32-24)31-14-16-12-28(27-26-16)13-19(29)15-6-2-1-3-7-15/h1-12,19,29H,13-14H2
InChIKey YKEXSXSCGHPQDX-UHFFFAOYSA-N
Mol Weight 463.94 g/mol
Molecular Formula C24H18ClN3O3S
Exact Mass 463.07574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HWLGkCXF3O
Name 1-Chloro-4-{[1-(2-hydroxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl]methoxy}-9H-thioxanthen-9-one
Alternate Name(s) 1-Chloro-4-((1-(2-hydroxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl)methoxy)-9H-thioxanthen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18ClN3O3S
InChI InChI=1S/C24H18ClN3O3S/c25-18-10-11-20(24-22(18)23(30)17-8-4-5-9-21(17)32-24)31-14-16-12-28(27-26-16)13-19(29)15-6-2-1-3-7-15/h1-12,19,29H,13-14H2
InChIKey YKEXSXSCGHPQDX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900226
Molecular Weight 463.939 g/mol
SMILES OC(C[n]1nnc(c1)COc1ccc(c2C(c3ccccc3Sc12)=O)Cl)c1ccccc1
SPLASH splash10-05r1-7910000000-e07b4ee89fbe12f82ade
Source of Spectrum H-93-446-7h
Wiley ID 1785808