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1,1-Bis(phenylsulfonyl)-4-[1-hydroxy-(E)-2-hexen-4-oxy]-3-pentanol
SpectraBase Compound ID KUX26pOnqHe
InChI InChI=1S/C23H30O7S2/c1-3-19(11-10-16-24)30-18(2)22(25)17-23(31(26,27)20-12-6-4-7-13-20)32(28,29)21-14-8-5-9-15-21/h4-15,18-19,22-25H,3,16-17H2,1-2H3/b11-10+/t18-,19?,22+/m0/s1
InChIKey ZBSZRKCBZDECJC-ZVSGXONESA-N
Mol Weight 482.61 g/mol
Molecular Formula C23H30O7S2
Exact Mass 482.143296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gdp1cZpSOdA
Name 1,1-Bis(phenylsulfonyl)-4-[1-hydroxy-(E)-2-hexen-4-oxy]-3-pentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O7S2
InChI InChI=1S/C23H30O7S2/c1-3-19(11-10-16-24)30-18(2)22(25)17-23(31(26,27)20-12-6-4-7-13-20)32(28,29)21-14-8-5-9-15-21/h4-15,18-19,22-25H,3,16-17H2,1-2H3/b11-10+/t18-,19?,22+/m0/s1
InChIKey ZBSZRKCBZDECJC-ZVSGXONESA-N
Molecular Weight 482.606 g/mol
SMILES OC\C=C\C(O[C@]([C@@](CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)(O)[H])(C)[H])CC
SPLASH splash10-004i-0900000000-e5b2c4276ba9e1f99bd3
Source of Spectrum F-51-151-8
Synonyms (2E)-4-[2-hydroxy-1-methyl-4,4-bis(phenylsulfonyl)butoxy]-2-hexen-1-ol (E)-4-((1S,2R)-4,4-Bis-benzenesulfonyl-2-hydroxy-1-methyl-butoxy)-hex-2-en-1-ol
Wiley ID 790466