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10,11-bis(methylsulfanyl)heptadecan-2-one
SpectraBase Compound ID 6pQyBQtdSUW
InChI InChI=1S/C19H38OS2/c1-5-6-7-12-15-18(21-3)19(22-4)16-13-10-8-9-11-14-17(2)20/h18-19H,5-16H2,1-4H3
InChIKey MWHGTMAQIFKUET-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C19H38OS2
Exact Mass 346.236408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9ZE6uJyAVw
Name 10,11-bis(methylsulfanyl)heptadecan-2-one
Carrier Gas Helium (1.16 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.236408191 u
Formula C19H38OS2
GC Column SLB-5 ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C19H38OS2/c1-5-6-7-12-15-18(21-3)19(22-4)16-13-10-8-9-11-14-17(2)20/h18-19H,5-16H2,1-4H3
InChIKey MWHGTMAQIFKUET-UHFFFAOYSA-N
Inlet Type split (1:50)
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9457
Molecular Weight 346.632 g/mol
Quality 513
SMILES CCCCCCC(C(SC)CCCCCCCC(C)=O)SC
SPLASH splash10-0udj-9350000000-e1d01113a990bc028337
Source of Spectrum RCM-37-SM6-Figure S2 (DOI: 10.1002/rcm.9457)
Wiley ID 1909633