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((5R,6R)-5-(4-Trifluoromethylphenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
SpectraBase Compound ID 4K2oSgz7oPI
InChI InChI=1S/C24H19F3O2S/c25-24(26,27)17-9-6-15(7-10-17)23-19-13-21-20(28-14-29-21)12-16(19)8-11-22(23)30-18-4-2-1-3-5-18/h1-7,9-10,12-13,22-23H,8,11,14H2/t22-,23-/m1/s1
InChIKey HYEZLXQUVZQREI-DHIUTWEWSA-N
Mol Weight 428.47 g/mol
Molecular Formula C24H19F3O2S
Exact Mass 428.105786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPwQ3S3wCEj
Name ((5R,6R)-5-(4-Trifluoromethylphenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
Alternate Name(s) (5R,6R)-6-(phenylthio)-5-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole (5R,6R)-6-phenylsulfanyl-5-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19F3O2S
InChI InChI=1S/C24H19F3O2S/c25-24(26,27)17-9-6-15(7-10-17)23-19-13-21-20(28-14-29-21)12-16(19)8-11-22(23)30-18-4-2-1-3-5-18/h1-7,9-10,12-13,22-23H,8,11,14H2/t22-,23-/m1/s1
InChIKey HYEZLXQUVZQREI-DHIUTWEWSA-N
Literature Reference DOI 10.1021/jo4023765
Molecular Weight 428.469 g/mol
SMILES [C@@]1(c2c(CC[C@]1(Sc1ccccc1)[H])cc1c(c2)OCO1)(c1ccc(cc1)C(F)(F)F)[H]
SPLASH splash10-016r-0958700000-05dc9b884b9badea0a8f
Source of Spectrum J-79-163-trans_14h
Wiley ID 1745920