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6,6-bis(heptylsulfanyl)hexane-1,2,3,4,5-pentol
SpectraBase Compound ID LBvIiL0C9A7
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-YRXWBPOGSA-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 JbNPWbrx3Tu
Name 6,6-bis(heptylsulfanyl)hexane-1,2,3,4,5-pentol
CAS Registry Number 112317-99-4
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-YRXWBPOGSA-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 splash10-004i-9430000000-04ed34f93a6802e3463b
Synonyms d-Galactose, diheptyl mercaptal d-Glucose, diheptyl mercaptal 6,6-bis(heptylthio)hexane-1,2,3,4,5-pentol d-Mannose, diheptylthio acetal
Wiley ID 1498405