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5-(Dodecylthio)-5-methylhexan-3-one
SpectraBase Compound ID MKOV6wbUw9
InChI InChI=1S/C19H38OS/c1-5-7-8-9-10-11-12-13-14-15-16-21-19(3,4)17-18(20)6-2/h5-17H2,1-4H3
InChIKey IFWVNCWIHFXTMT-UHFFFAOYSA-N
Mol Weight 314.6 g/mol
Molecular Formula C19H38OS
Exact Mass 314.264337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2E7EixxKanw
Name 5-(Dodecylthio)-5-methylhexan-3-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H38OS
InChI InChI=1S/C19H38OS/c1-5-7-8-9-10-11-12-13-14-15-16-21-19(3,4)17-18(20)6-2/h5-17H2,1-4H3
InChIKey IFWVNCWIHFXTMT-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 314.572 g/mol
SMILES C(CCCCCCCCCCC)SC(CC(CC)=O)(C)C
SPLASH splash10-0a59-9000000000-f17bb0b7adc666489f59
Source of Spectrum EP3533786A1
Wiley ID 1874962