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5,5-bis(heptylsulfanyl)pentane-1,2,3,4-tetrol
SpectraBase Compound ID CqOP4wuRoXp
InChI InChI=1S/C19H40O4S2/c1-3-5-7-9-11-13-24-19(18(23)17(22)16(21)15-20)25-14-12-10-8-6-4-2/h16-23H,3-15H2,1-2H3/t16-,17-,18+/m0/s1
InChIKey GYEMPHSAPHPDPV-OKZBNKHCSA-N
Mol Weight 396.6 g/mol
Molecular Formula C19H40O4S2
Exact Mass 396.236802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg4Hga46c9K
Name 5,5-bis(heptylsulfanyl)pentane-1,2,3,4-tetrol
Alternate Name(s) d-Lyxose, diheptyl mercaptal d-Xylose, diheptyl mercaptal 5,5-bis(heptylthio)pentane-1,2,3,4-tetrol l-Arabinose, dithioheptyl- dithioacetal
CAS Registry Number 123390-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H40O4S2
InChI InChI=1S/C19H40O4S2/c1-3-5-7-9-11-13-24-19(18(23)17(22)16(21)15-20)25-14-12-10-8-6-4-2/h16-23H,3-15H2,1-2H3/t16-,17-,18+/m0/s1
InChIKey GYEMPHSAPHPDPV-OKZBNKHCSA-N
Molecular Weight 396.645 g/mol
SMILES OC[C@@]([C@@]([C@](C(SCCCCCCC)SCCCCCCC)(O)[H])(O)[H])(O)[H]
SPLASH splash10-0a6u-9210000000-0684ee9ecddd90b87acc
Wiley ID 1497929