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2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)-1-hexadecanone
SpectraBase Compound ID KDjbDUYDYYA
InChI InChI=1S/C35H64OS/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-31(3)35(36)34-30-32(4)33(37-34)29-27-25-23-21-18-16-14-12-10-8-6-2/h30-31H,5-29H2,1-4H3
InChIKey VJTHAMXVGGEOAJ-UHFFFAOYSA-N
Mol Weight 533.0 g/mol
Molecular Formula C35H64OS
Exact Mass 532.467788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nRt2ex2EBd
Name 2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)-1-hexadecanone
CAS Registry Number 60089-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H64OS
InChI InChI=1S/C35H64OS/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-31(3)35(36)34-30-32(4)33(37-34)29-27-25-23-21-18-16-14-12-10-8-6-2/h30-31H,5-29H2,1-4H3
InChIKey VJTHAMXVGGEOAJ-UHFFFAOYSA-N
Molecular Weight 532.956 g/mol
SMILES CCCCCCCCCCCCCCC(C)C(c1cc(C)c(CCCCCCCCCCCCC)s1)=O
SPLASH splash10-000i-6908110000-c2167dc0c233322f8b36
Source of Spectrum W6-0-0-0
Synonyms 1-Hexadecanone, 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)- 2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)hexadecan-1-one 2-Methyl-1-(4-methyl-5-tridecyl-2-thiophenyl)-1-hexadecanone 2-Methyl-1-(4-methyl-5-tridecyl-thiophen-2-yl)hexadecan-1-one
Wiley ID 126575