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((5R,6R)-5-Pentyl-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
SpectraBase Compound ID eWLWuOG7k7
InChI InChI=1S/C22H26O2S/c1-2-3-5-10-18-19-14-21-20(23-15-24-21)13-16(19)11-12-22(18)25-17-8-6-4-7-9-17/h4,6-9,13-14,18,22H,2-3,5,10-12,15H2,1H3/t18-,22-/m1/s1
InChIKey QZBJBCOAERLXNI-XMSQKQJNSA-N
Mol Weight 354.51 g/mol
Molecular Formula C22H26O2S
Exact Mass 354.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PTMam7W9Ze
Name ((5R,6R)-5-Pentyl-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
Alternate Name(s) (5R,6R)-5-pentyl-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 C22H26O2S
InChI InChI=1S/C22H26O2S/c1-2-3-5-10-18-19-14-21-20(23-15-24-21)13-16(19)11-12-22(18)25-17-8-6-4-7-9-17/h4,6-9,13-14,18,22H,2-3,5,10-12,15H2,1H3/t18-,22-/m1/s1
InChIKey QZBJBCOAERLXNI-XMSQKQJNSA-N
Literature Reference DOI 10.1021/jo4023765
Molecular Weight 354.508 g/mol
SMILES [C@@]1(c2c(cc3OCOc3c2)CC[C@]1(Sc1ccccc1)[H])(CCCCC)[H]
SPLASH splash10-000i-2910000000-39c1a943defcd6534336
Source of Spectrum J-79-166-trans_14n
Wiley ID 1745925