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6,6-bis(octylsulfanyl)hexane-1,2,3,4,5-pentol

View entire compound with spectra: 1 MS (GC)

6,6-bis(octylsulfanyl)hexane-1,2,3,4,5-pentol
SpectraBase Compound ID H7F3YKMjzk
InChI InChI=1S/C22H46O5S2/c1-3-5-7-9-11-13-15-28-22(29-16-14-12-10-8-6-4-2)21(27)20(26)19(25)18(24)17-23/h18-27H,3-17H2,1-2H3/t18-,19+,20+,21-/m1/s1
InChIKey LWTVJPTVMYKYLO-IVAOSVALSA-N
Mol Weight 454.7 g/mol
Molecular Formula C22H46O5S2
Exact Mass 454.278667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUbWjVSBYZA
Name 6,6-bis(octylsulfanyl)hexane-1,2,3,4,5-pentol
CAS Registry Number 112159-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H46O5S2
InChI InChI=1S/C22H46O5S2/c1-3-5-7-9-11-13-15-28-22(29-16-14-12-10-8-6-4-2)21(27)20(26)19(25)18(24)17-23/h18-27H,3-17H2,1-2H3/t18-,19+,20+,21-/m1/s1
InChIKey LWTVJPTVMYKYLO-IVAOSVALSA-N
Molecular Weight 454.725 g/mol
SMILES O[C@@]([C@@]([C@@]([C@](C(SCCCCCCCC)SCCCCCCCC)(O)[H])(O)[H])(O)[H])(CO)[H]
SPLASH splash10-0udl-9203000000-33a643664d8a5d6ba840
Synonyms d-Allose, dithiooctyl- d-Galactose, dioctyl mercaptal 6,6-bis(octylthio)hexane-1,2,3,4,5-pentol d-Glucose, dioctyl mercaptal d-Mannose, dioctyl mercaptal
Wiley ID 1498307