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5-(octylthio)pentane-1,2,3,4-tetrol

View entire compound with spectra: 1 MS (GC)

5-(octylthio)pentane-1,2,3,4-tetrol
SpectraBase Compound ID 29Q3sm1oJyZ
InChI InChI=1S/C13H28O4S/c1-2-3-4-5-6-7-8-18-10-12(16)13(17)11(15)9-14/h11-17H,2-10H2,1H3/t11-,12-,13-/m0/s1
InChIKey FDSWKFGOZVKWGW-AVGNSLFASA-N
Mol Weight 280.42 g/mol
Molecular Formula C13H28O4S
Exact Mass 280.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Rm9P678Iy
Name 5-(octylthio)pentane-1,2,3,4-tetrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H28O4S
InChI InChI=1S/C13H28O4S/c1-2-3-4-5-6-7-8-18-10-12(16)13(17)11(15)9-14/h11-17H,2-10H2,1H3/t11-,12-,13-/m0/s1
InChIKey FDSWKFGOZVKWGW-AVGNSLFASA-N
Molecular Weight 280.423 g/mol
SMILES OC[C@@]([C@@]([C@](CSCCCCCCCC)(O)[H])(O)[H])(O)[H]
SPLASH splash10-066v-9300000000-0f05c420b3044b51de56
Synonyms Lyxitol, 1-thiooctyl- 5-Octylsulfanylpentane-1,2,3,4-tetrol 5-S-Octyl-5-thio-d-arabinitol
Wiley ID 1501066