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5-Hexadecyl-3-methyl-2-pentadecylthiophene
SpectraBase Compound ID 35zkZjQkMoX
InChI InChI=1S/C36H68S/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35-33-34(3)36(37-35)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3
InChIKey OJRIAASYXKPQAF-UHFFFAOYSA-N
Mol Weight 533.0 g/mol
Molecular Formula C36H68S
Exact Mass 532.504173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fyzStg6WdH
Name 5-Hexadecyl-3-methyl-2-pentadecylthiophene
Alternate Name(s) 5-cetyl-3-methyl-2-pentadecyl-thiophene Thiophene, 5-hexadecyl-3-methyl-2-pentadecyl-
CAS Registry Number 59782-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H68S
InChI InChI=1S/C36H68S/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35-33-34(3)36(37-35)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3
InChIKey OJRIAASYXKPQAF-UHFFFAOYSA-N
Molecular Weight 533.000 g/mol
SMILES CCCCCCCCCCCCCCCCc1cc(C)c(CCCCCCCCCCCCCCC)s1
SPLASH splash10-001i-8303090000-9b9487c8983874b14424
Source of Spectrum W5-0-0-0
Wiley ID 1403674