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3-(Dodecylthio)-3-methylcyclopentan-1-one
SpectraBase Compound ID FpuFSnQI4cX
InChI InChI=1S/C18H34OS/c1-3-4-5-6-7-8-9-10-11-12-15-20-18(2)14-13-17(19)16-18/h3-16H2,1-2H3
InChIKey TXHVOHGGMJFBEW-UHFFFAOYSA-N
Mol Weight 298.5 g/mol
Molecular Formula C18H34OS
Exact Mass 298.233037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83HKkC6u3EJ
Name 3-(Dodecylthio)-3-methylcyclopentan-1-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34OS
InChI InChI=1S/C18H34OS/c1-3-4-5-6-7-8-9-10-11-12-15-20-18(2)14-13-17(19)16-18/h3-16H2,1-2H3
InChIKey TXHVOHGGMJFBEW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 298.529 g/mol
SMILES C(CCCCCCCCCCC)SC1(CC(CC1)=O)C
SPLASH splash10-00ke-9000000000-7a0d03ee3ecf11026206
Source of Spectrum EP3533786A1
Wiley ID 1874961