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9,10-di(methylsulfanyl)octadecan-13-olide
SpectraBase Compound ID 3ibdogYOUmu
InChI InChI=1S/C20H38O2S2/c1-4-5-9-12-17-15-16-19(24-3)18(23-2)13-10-7-6-8-11-14-20(21)22-17/h17-19H,4-16H2,1-3H3
InChIKey ZBNXMQKBVGXWKP-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C20H38O2S2
Exact Mass 374.231323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UH2YmYETQC
Name 9,10-di(methylsulfanyl)octadecan-13-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O2S2
InChI InChI=1S/C20H38O2S2/c1-4-5-9-12-17-15-16-19(24-3)18(23-2)13-10-7-6-8-11-14-20(21)22-17/h17-19H,4-16H2,1-3H3
InChIKey ZBNXMQKBVGXWKP-UHFFFAOYSA-N
Instrument Name Agilent quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00366
Molecular Weight 374.642 g/mol
SMILES C1C(C(CCC(OC(CCCCCC1)=O)CCCCC)SC)SC
SPLASH splash10-00di-9802000000-d18a36600d3810a70038
Source of Spectrum G4-80-2580-Figure 11B
Wiley ID 1872297