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1-(4-Methyl-5-tridecyl-2-thienyl)-1-icosanone
SpectraBase Compound ID CB4erzSbh07
InChI InChI=1S/C38H70OS/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-32-36(39)38-34-35(3)37(40-38)33-31-29-27-25-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
InChIKey YPIYKOGOALJEKB-UHFFFAOYSA-N
Mol Weight 575.0 g/mol
Molecular Formula C38H70OS
Exact Mass 574.514738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCc3zK5Tzte
Name 1-(4-Methyl-5-tridecyl-2-thienyl)-1-icosanone
CAS Registry Number 60089-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H70OS
InChI InChI=1S/C38H70OS/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-32-36(39)38-34-35(3)37(40-38)33-31-29-27-25-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
InChIKey YPIYKOGOALJEKB-UHFFFAOYSA-N
Molecular Weight 575.037 g/mol
SMILES CCCCCCCCCCCCCCCCCCCC(c1cc(C)c(CCCCCCCCCCCCC)s1)=O
SPLASH splash10-00di-2209030000-e13da33b23c33b2596f3
Source of Spectrum W5-0-0-0
Synonyms 1-(4-Methyl-5-tridecyl-2-thienyl)eicosan-1-one 1-(4-Methyl-5-tridecyl-2-thienyl)icosan-1-one 1-(4-Methyl-5-tridecyl-2-thiophenyl)-1-eicosanone 1-(4-Methyl-5-tridecyl-thiophen-2-yl)icosan-1-one 1-Eicosanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
Wiley ID 1408103