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1-(4-Methyl-5-tridecyl-2-thienyl)-1-hexadecanone
SpectraBase Compound ID GK5jv2May91
InChI InChI=1S/C34H62OS/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-32(35)34-30-31(3)33(36-34)29-27-25-23-21-18-15-13-11-9-7-5-2/h30H,4-29H2,1-3H3
InChIKey JHXZLWYCTHNCTD-UHFFFAOYSA-N
Mol Weight 518.9 g/mol
Molecular Formula C34H62OS
Exact Mass 518.452138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICPvt93szIT
Name 1-(4-Methyl-5-tridecyl-2-thienyl)-1-hexadecanone
CAS Registry Number 59782-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H62OS
InChI InChI=1S/C34H62OS/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-32(35)34-30-31(3)33(36-34)29-27-25-23-21-18-15-13-11-9-7-5-2/h30H,4-29H2,1-3H3
InChIKey JHXZLWYCTHNCTD-UHFFFAOYSA-N
Molecular Weight 518.929 g/mol
SMILES CCCCCCCCCCCCCCCC(c1cc(C)c(CCCCCCCCCCCCC)s1)=O
SPLASH splash10-00xr-6619030000-aeb624d9caaf8a12ee02
Source of Spectrum W6-0-0-0
Synonyms 1-(4-Methyl-5-tridecyl-2-thienyl)hexadecan-1-one 1-(4-Methyl-5-tridecyl-2-thiophenyl)-1-hexadecanone 1-(4-Methyl-5-tridecyl-thiophen-2-yl)hexadecan-1-one 1-Hexadecanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
Wiley ID 126257