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2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)-1-hexanone
SpectraBase Compound ID 7IasJSCxfRt
InChI InChI=1S/C25H44OS/c1-5-7-9-10-11-12-13-14-15-16-17-19-23-22(4)20-24(27-23)25(26)21(3)18-8-6-2/h20-21H,5-19H2,1-4H3
InChIKey MMAMGENJVSEIIO-UHFFFAOYSA-N
Mol Weight 392.7 g/mol
Molecular Formula C25H44OS
Exact Mass 392.311287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5DT6tVHN9E
Name 2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)-1-hexanone
CAS Registry Number 60089-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44OS
InChI InChI=1S/C25H44OS/c1-5-7-9-10-11-12-13-14-15-16-17-19-23-22(4)20-24(27-23)25(26)21(3)18-8-6-2/h20-21H,5-19H2,1-4H3
InChIKey MMAMGENJVSEIIO-UHFFFAOYSA-N
Molecular Weight 392.686 g/mol
SMILES CCCCCCCCCCCCCc1c(C)cc(C(C(C)CCCC)=O)s1
SPLASH splash10-000i-7926000000-736a0a102139bc1861ba
Source of Spectrum W6-0-0-0
Synonyms 1-Hexanone, 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)- 2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)hexan-1-one 2-Methyl-1-(4-methyl-5-tridecyl-2-thiophenyl)-1-hexanone 2-Methyl-1-(4-methyl-5-tridecyl-thiophen-2-yl)hexan-1-one
Wiley ID 120302