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1,3,2-Dioxathiepane, 4-butyl-7-pentyl-, 2,2-dioxide, (4R-trans)-
SpectraBase Compound ID JnTfTJKQRgY
InChI InChI=1S/C13H26O4S/c1-3-5-7-9-13-11-10-12(8-6-4-2)16-18(14,15)17-13/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKey LCWHVASDVBYIBI-CHWSQXEVSA-N
Mol Weight 278.41 g/mol
Molecular Formula C13H26O4S
Exact Mass 278.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIudFCpVDwC
Name 1,3,2-Dioxathiepane, 4-butyl-7-pentyl-, 2,2-dioxide, (4R-trans)-
CAS Registry Number 131682-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O4S
InChI InChI=1S/C13H26O4S/c1-3-5-7-9-13-11-10-12(8-6-4-2)16-18(14,15)17-13/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKey LCWHVASDVBYIBI-CHWSQXEVSA-N
Molecular Weight 278.407 g/mol
SMILES [C@]1(OS(O[C@@](CC1)(CCCC)[H])(=O)=O)(CCCCC)[H]
SPLASH splash10-0159-9200000000-ad2c1709e3069c21d2ec
Source of Spectrum J-56-1391-24
Synonyms (4R,7R)-4-butyl-7-pentyl-1,3,2-dioxathiepane 2,2-dioxide (5S,8S)-5,8-tridecanediol cyclic sulfate
Wiley ID 1281681