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5,5-bis(heptylsulfanyl)pentane-1,2,3-triol
SpectraBase Compound ID 50c00b6XXsK
InChI InChI=1S/C19H40O3S2/c1-3-5-7-9-11-13-23-19(15-17(21)18(22)16-20)24-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3/t17-,18+/m0/s1
InChIKey MVVLGWPWFZFYRA-ZWKOTPCHSA-N
Mol Weight 380.6 g/mol
Molecular Formula C19H40O3S2
Exact Mass 380.241887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4bUXyRbWsa
Name 5,5-bis(heptylsulfanyl)pentane-1,2,3-triol
CAS Registry Number 123390-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H40O3S2
InChI InChI=1S/C19H40O3S2/c1-3-5-7-9-11-13-23-19(15-17(21)18(22)16-20)24-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3/t17-,18+/m0/s1
InChIKey MVVLGWPWFZFYRA-ZWKOTPCHSA-N
Molecular Weight 380.646 g/mol
SMILES OC[C@]([C@](CC(SCCCCCCC)SCCCCCCC)(O)[H])(O)[H]
SPLASH splash10-014i-8900000000-a6a88fee89415975dec3
Synonyms 5,5-bis(heptylthio)pentane-1,2,3-triol d-Ribose, 2-deoxy-bis(thioheptyl)-dithioacetal
Wiley ID 1497401