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((5R,6R)-5-(4-Cyanophenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
SpectraBase Compound ID 4cIuHu0eq8U
InChI InChI=1S/C24H19NO2S/c25-14-16-6-8-17(9-7-16)24-20-13-22-21(26-15-27-22)12-18(20)10-11-23(24)28-19-4-2-1-3-5-19/h1-9,12-13,23-24H,10-11,15H2/t23-,24-/m1/s1
InChIKey VQYGRYVGMUGETR-DNQXCXABSA-N
Mol Weight 385.48 g/mol
Molecular Formula C24H19NO2S
Exact Mass 385.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3k8ukbvbzcv
Name ((5R,6R)-5-(4-Cyanophenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19NO2S
InChI InChI=1S/C24H19NO2S/c25-14-16-6-8-17(9-7-16)24-20-13-22-21(26-15-27-22)12-18(20)10-11-23(24)28-19-4-2-1-3-5-19/h1-9,12-13,23-24H,10-11,15H2/t23-,24-/m1/s1
InChIKey VQYGRYVGMUGETR-DNQXCXABSA-N
Literature Reference DOI 10.1021/jo4023765
Molecular Weight 385.481 g/mol
SMILES [C@@]1(c2c(CC[C@]1(Sc1ccccc1)[H])cc1c(OCO1)c2)(c1ccc(cc1)C#N)[H]
SPLASH splash10-004i-5859000000-1a1b427c0d20638a6ea7
Source of Spectrum J-79-162-trans_14e
Synonyms 4-((5R,6R)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-5-yl)benzonitrile
Wiley ID 1745918