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2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)-1-dodecanone
SpectraBase Compound ID 7rHmsZtCP7N
InChI InChI=1S/C31H56OS/c1-5-7-9-11-13-15-16-17-19-21-23-25-29-28(4)26-30(33-29)31(32)27(3)24-22-20-18-14-12-10-8-6-2/h26-27H,5-25H2,1-4H3
InChIKey APJCOKVMNLBDHJ-UHFFFAOYSA-N
Mol Weight 476.8 g/mol
Molecular Formula C31H56OS
Exact Mass 476.405188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7D3kaBQzDIR
Name 2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)-1-dodecanone
CAS Registry Number 60089-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56OS
InChI InChI=1S/C31H56OS/c1-5-7-9-11-13-15-16-17-19-21-23-25-29-28(4)26-30(33-29)31(32)27(3)24-22-20-18-14-12-10-8-6-2/h26-27H,5-25H2,1-4H3
InChIKey APJCOKVMNLBDHJ-UHFFFAOYSA-N
Molecular Weight 476.848 g/mol
SMILES CCCCCCCCCCCCCc1c(C)cc(C(C(C)CCCCCCCCCC)=O)s1
SPLASH splash10-052r-4419100000-5686fbaea80862f3b70b
Source of Spectrum W6-0-0-0
Synonyms 1-Dodecanone, 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)- 2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)dodecan-1-one 2-Methyl-1-(4-methyl-5-tridecyl-2-thiophenyl)-1-dodecanone 2-Methyl-1-(4-methyl-5-tridecyl-thiophen-2-yl)dodecan-1-one
Wiley ID 125067