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3-Methyl-5-octadecyl-2-pentadecylthiophene

View entire compound with spectra: 1 MS (GC)

3-Methyl-5-octadecyl-2-pentadecylthiophene
SpectraBase Compound ID 8DlfujgWDpO
InChI InChI=1S/C38H72S/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37-35-36(3)38(39-37)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3
InChIKey CBMSCJQAKUEQRL-UHFFFAOYSA-N
Mol Weight 561.1 g/mol
Molecular Formula C38H72S
Exact Mass 560.535473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GnaFEGCm9f
Name 3-Methyl-5-octadecyl-2-pentadecylthiophene
Alternate Name(s) 3-Methyl-2-pentadecyl-5-stearyl-thiophene Thiophene, 3-methyl-5-octadecyl-2-pentadecyl-
CAS Registry Number 59782-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H72S
InChI InChI=1S/C38H72S/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37-35-36(3)38(39-37)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3
InChIKey CBMSCJQAKUEQRL-UHFFFAOYSA-N
Molecular Weight 561.054 g/mol
SMILES CCCCCCCCCCCCCCCCCCc1cc(C)c(CCCCCCCCCCCCCCC)s1
SPLASH splash10-03di-3101090000-fa7ffa5ea7e73f364885
Source of Spectrum W5-0-0-0
Wiley ID 1406807