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(2R,3S)-5-Benzenesulfonyl-2-heptyl-6-methyl-3,4-dihydro-2H-pyran-3-ol
SpectraBase Compound ID Jk9vHrzC6j7
InChI InChI=1S/C19H28O4S/c1-3-4-5-6-10-13-18-17(20)14-19(15(2)23-18)24(21,22)16-11-8-7-9-12-16/h7-9,11-12,17-18,20H,3-6,10,13-14H2,1-2H3/t17-,18+/m0/s1
InChIKey KVODUYRRKWNICZ-ZWKOTPCHSA-N
Mol Weight 352.49 g/mol
Molecular Formula C19H28O4S
Exact Mass 352.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77og1nHY0i3
Name (2R,3S)-5-Benzenesulfonyl-2-heptyl-6-methyl-3,4-dihydro-2H-pyran-3-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4S
InChI InChI=1S/C19H28O4S/c1-3-4-5-6-10-13-18-17(20)14-19(15(2)23-18)24(21,22)16-11-8-7-9-12-16/h7-9,11-12,17-18,20H,3-6,10,13-14H2,1-2H3/t17-,18+/m0/s1
InChIKey KVODUYRRKWNICZ-ZWKOTPCHSA-N
Molecular Weight 352.489 g/mol
SMILES O[C@]1(CC(S(=O)(=O)c2ccccc2)=C(O[C@@]1(CCCCCCC)[H])C)[H]
SPLASH splash10-03di-0090000000-7d6294c5195c3a2cc16b
Source of Spectrum C-126-9656-9f
Synonyms (trans)-2-Heptyl-3-hydroxy-5-(phenylsulfonyl)-6-methyl-3,4-dihydro-2H-pyran
Wiley ID 1701343