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(2S,3R,3aS,7aS)-3-(4-methylphenyl)sulfonylspiro[3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2,2'-oxane]
SpectraBase Compound ID Bcfyq4vymip
InChI InChI=1S/C19H26O4S/c1-14-8-10-15(11-9-14)24(20,21)18-16-6-2-3-7-17(16)23-19(18)12-4-5-13-22-19/h8-11,16-18H,2-7,12-13H2,1H3/t16-,17-,18+,19-/m0/s1
InChIKey GHRWEIWPVRUIOS-OKYOBFRVSA-N
Mol Weight 350.47 g/mol
Molecular Formula C19H26O4S
Exact Mass 350.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRfk3SYArE2
Name (2S,3R,3aS,7aS)-3-(4-methylphenyl)sulfonylspiro[3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2,2'-oxane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4S
InChI InChI=1S/C19H26O4S/c1-14-8-10-15(11-9-14)24(20,21)18-16-6-2-3-7-17(16)23-19(18)12-4-5-13-22-19/h8-11,16-18H,2-7,12-13H2,1H3/t16-,17-,18+,19-/m0/s1
InChIKey GHRWEIWPVRUIOS-OKYOBFRVSA-N
Molecular Weight 350.473 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@]2(O[C@@]3([C@@]1(CCCC3)[H])[H])OCCCC2)[H]
SPLASH splash10-0005-4900000000-9a4259ed41f578c31fec
Source of Spectrum F-57-569-14
Synonyms (2S,3R,3aS,7aS)-3-(4-methylphenyl)sulfonylspiro[3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2,2'-oxane] (2S,3R,3aS,7aS)-3-(p-tolylsulfonyl)spiro[3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2,2'-tetrahydropyran] (2S,3R,3aS,7aS)-3-tosylspiro[3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2,2'-tetrahydropyran]
Wiley ID 1549335