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4-(4-Methoxyphenyl)-1-[(1R*,2R*)-[2-(methylthio)-cyclohexyl]]-1H-1,2,3-triazole
SpectraBase Compound ID CYt1XEpltvC
InChI InChI=1S/C16H21N3OS/c1-20-13-9-7-12(8-10-13)14-11-19(18-17-14)15-5-3-4-6-16(15)21-2/h7-11,15-16H,3-6H2,1-2H3/t15-,16-/m1/s1
InChIKey PEUZIXCXEDHLER-HZPDHXFCSA-N
Mol Weight 303.42 g/mol
Molecular Formula C16H21N3OS
Exact Mass 303.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLAyzFOdprD
Name 4-(4-Methoxyphenyl)-1-[(1R*,2R*)-[2-(methylthio)-cyclohexyl]]-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3OS
InChI InChI=1S/C16H21N3OS/c1-20-13-9-7-12(8-10-13)14-11-19(18-17-14)15-5-3-4-6-16(15)21-2/h7-11,15-16H,3-6H2,1-2H3/t15-,16-/m1/s1
InChIKey PEUZIXCXEDHLER-HZPDHXFCSA-N
Literature Reference DOI 10.1021/jo400110m
Molecular Weight 303.424 g/mol
SMILES C1CC[C@]([C@@](C1)(SC)[H])([n]1cc(nn1)-c1ccc(cc1)OC)[H]
SPLASH splash10-003r-9612000000-5ff74e751c17a2c34676
Source of Spectrum J-78-5035-3ac
Synonyms 4-(4-Methoxyphenyl)-1-((1R,2R)-2-(methylthio)cyclohexyl)-1H-1,2,3-triazole 4-(4-Methoxyphenyl)-1-[(1R,2R)-2-methylsulfanylcyclohexyl]triazole 4-(4-Methoxyphenyl)-1-[(1R,2R)-2-methylsulfanylcyclohexyl]-1,2,3-triazole
Wiley ID 1745437