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((5R,6R)-5-Cyclopropyl-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
SpectraBase Compound ID INZvtcI9Im8
InChI InChI=1S/C20H20O2S/c1-2-4-15(5-3-1)23-19-9-8-14-10-17-18(22-12-21-17)11-16(14)20(19)13-6-7-13/h1-5,10-11,13,19-20H,6-9,12H2/t19-,20-/m1/s1
InChIKey RFYYSJUWBWXRCB-WOJBJXKFSA-N
Mol Weight 324.44 g/mol
Molecular Formula C20H20O2S
Exact Mass 324.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CIClqnNzbW
Name ((5R,6R)-5-Cyclopropyl-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 C20H20O2S
InChI InChI=1S/C20H20O2S/c1-2-4-15(5-3-1)23-19-9-8-14-10-17-18(22-12-21-17)11-16(14)20(19)13-6-7-13/h1-5,10-11,13,19-20H,6-9,12H2/t19-,20-/m1/s1
InChIKey RFYYSJUWBWXRCB-WOJBJXKFSA-N
Literature Reference DOI 10.1021/jo4023765
Molecular Weight 324.438 g/mol
SMILES [C@@]1(c2c(cc3OCOc3c2)CC[C@]1(Sc1ccccc1)[H])(C1CC1)[H]
SPLASH splash10-00di-2922000000-f9aa0afd14f3a69c8d0f
Source of Spectrum J-79-165-trans_14k
Synonyms (5R,6R)-5-cyclopropyl-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole
Wiley ID 1745922