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3-Methyl-5-octadecyl-2-tridecylthiophene
SpectraBase Compound ID K4mCBXIk3Xe
InChI InChI=1S/C36H68S/c1-4-6-8-10-12-14-16-17-18-19-20-22-23-25-27-29-31-35-33-34(3)36(37-35)32-30-28-26-24-21-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3
InChIKey UXFILLVQILWXID-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 7qWW7MrWbGU
Name 3-Methyl-5-octadecyl-2-tridecylthiophene
Alternate Name(s) 3-Methyl-5-stearyl-2-tridecyl-thiophene Thiophene, 3-methyl-5-octadecyl-2-tridecyl-
CAS Registry Number 59782-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H68S
InChI InChI=1S/C36H68S/c1-4-6-8-10-12-14-16-17-18-19-20-22-23-25-27-29-31-35-33-34(3)36(37-35)32-30-28-26-24-21-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3
InChIKey UXFILLVQILWXID-UHFFFAOYSA-N
Molecular Weight 533.000 g/mol
SMILES CCCCCCCCCCCCCCCCCCc1cc(C)c(CCCCCCCCCCCCC)s1
SPLASH splash10-001i-5403090000-f6aa5ce7e36ccc5aa33f
Source of Spectrum W5-0-0-0
Wiley ID 1403673