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((5R,6R)-5-(2-Methylpropyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole
SpectraBase Compound ID 8hPAvD00dmL
InChI InChI=1S/C21H24O2S/c1-14(2)10-18-17-12-20-19(22-13-23-20)11-15(17)8-9-21(18)24-16-6-4-3-5-7-16/h3-7,11-12,14,18,21H,8-10,13H2,1-2H3/t18-,21-/m1/s1
InChIKey HPYUVBNQTUDSKP-WIYYLYMNSA-N
Mol Weight 340.48 g/mol
Molecular Formula C21H24O2S
Exact Mass 340.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uu3xfK6yG
Name ((5R,6R)-5-(2-Methylpropyl)-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 C21H24O2S
InChI InChI=1S/C21H24O2S/c1-14(2)10-18-17-12-20-19(22-13-23-20)11-15(17)8-9-21(18)24-16-6-4-3-5-7-16/h3-7,11-12,14,18,21H,8-10,13H2,1-2H3/t18-,21-/m1/s1
InChIKey HPYUVBNQTUDSKP-WIYYLYMNSA-N
Literature Reference DOI 10.1021/jo4023765
Molecular Weight 340.481 g/mol
SMILES [C@@]1(c2c(CC[C@]1(Sc1ccccc1)[H])cc1OCOc1c2)(CC(C)C)[H]
SPLASH splash10-00ec-0922000000-f1613199094153a873f6
Source of Spectrum J-79-166-trans_14p
Synonyms (5R,6R)-5-isobutyl-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole
Wiley ID 1745927