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1-Butylsulfanyl-octan-2-ol

View entire compound with spectra: 1 MS (GC)

1-Butylsulfanyl-octan-2-ol
SpectraBase Compound ID DzPRYsg2A0w
InChI InChI=1S/C12H26OS/c1-3-5-7-8-9-12(13)11-14-10-6-4-2/h12-13H,3-11H2,1-2H3
InChIKey OWHIFFQDUDLUNE-UHFFFAOYSA-N
Mol Weight 218.4 g/mol
Molecular Formula C12H26OS
Exact Mass 218.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BL4nh1sm1fs
Name 1-Butylsulfanyl-octan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26OS
InChI InChI=1S/C12H26OS/c1-3-5-7-8-9-12(13)11-14-10-6-4-2/h12-13H,3-11H2,1-2H3
InChIKey OWHIFFQDUDLUNE-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c1gc15790f
Molecular Weight 218.399 g/mol
SMILES OC(CSCCCC)CCCCCC
SPLASH splash10-0pb9-9510000000-110a26787532cbf8f78b
Source of Spectrum GCH-13-3181/SMS10-29
Synonyms 1-(butylthio)octan-2-ol
Wiley ID 1760693