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6,6-bis(heptylsulfanyl)hexane-1,2,3,4,5-pentol
SpectraBase Compound ID 76U0HpEHtuE
InChI InChI=1S/C20H42O5S2/c1-3-5-7-9-11-13-26-20(27-14-12-10-8-6-4-2)19(25)18(24)17(23)16(22)15-21/h16-25H,3-15H2,1-2H3/t16-,17-,18+,19-/m1/s1
InChIKey QJAHQFCZLSAMJD-AKHDSKFASA-N
Mol Weight 426.7 g/mol
Molecular Formula C20H42O5S2
Exact Mass 426.247367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Z5AU1AQIAZ
Name 6,6-bis(heptylsulfanyl)hexane-1,2,3,4,5-pentol
Alternate Name(s) d-Galactose, diheptyl mercaptal d-Glucose, diheptyl mercaptal 6,6-bis(heptylthio)hexane-1,2,3,4,5-pentol d-Mannose, diheptylthio acetal
CAS Registry Number 115460-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H42O5S2
InChI InChI=1S/C20H42O5S2/c1-3-5-7-9-11-13-26-20(27-14-12-10-8-6-4-2)19(25)18(24)17(23)16(22)15-21/h16-25H,3-15H2,1-2H3/t16-,17-,18+,19-/m1/s1
InChIKey QJAHQFCZLSAMJD-AKHDSKFASA-N
Molecular Weight 426.671 g/mol
SMILES O[C@](CO)([C@]([C@@]([C@](C(SCCCCCCC)SCCCCCCC)(O)[H])(O)[H])(O)[H])[H]
SPLASH splash10-0a6u-9210000000-b81f77a0b10306be0317
Wiley ID 1498096