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3-Methyl-5-(2-methylhexadecyl)-2-tridecylthiophene
SpectraBase Compound ID Dp2J6BCnDXI
InChI InChI=1S/C35H66S/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-32(3)30-34-31-33(4)35(36-34)29-27-25-23-21-18-16-14-12-10-8-6-2/h31-32H,5-30H2,1-4H3
InChIKey VDCTZBZZFPKDHR-UHFFFAOYSA-N
Mol Weight 519.0 g/mol
Molecular Formula C35H66S
Exact Mass 518.488523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hFUL6i4WWu
Name 3-Methyl-5-(2-methylhexadecyl)-2-tridecylthiophene
Alternate Name(s) Thiophene, 3-methyl-5-(2-methylhexadecyl)-2-tridecyl-
CAS Registry Number 60089-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H66S
InChI InChI=1S/C35H66S/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-32(3)30-34-31-33(4)35(36-34)29-27-25-23-21-18-16-14-12-10-8-6-2/h31-32H,5-30H2,1-4H3
InChIKey VDCTZBZZFPKDHR-UHFFFAOYSA-N
Molecular Weight 518.973 g/mol
SMILES CCCCCCCCCCCCCCC(C)Cc1cc(C)c(CCCCCCCCCCCCC)s1
SPLASH splash10-00mo-6952040000-d352fac917717476231d
Source of Spectrum W6-0-0-0
Wiley ID 126258