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3-Methyl-5-(2-methyloctyl)-2-tridecylthiophene
SpectraBase Compound ID JunqlGXj164
InChI InChI=1S/C27H50S/c1-5-7-9-11-12-13-14-15-16-17-19-21-27-25(4)23-26(28-27)22-24(3)20-18-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKey ZAZYWEOZHKFJOJ-UHFFFAOYSA-N
Mol Weight 406.8 g/mol
Molecular Formula C27H50S
Exact Mass 406.363323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B48cRiQN13Q
Name 3-Methyl-5-(2-methyloctyl)-2-tridecylthiophene
CAS Registry Number 60089-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50S
InChI InChI=1S/C27H50S/c1-5-7-9-11-12-13-14-15-16-17-19-21-27-25(4)23-26(28-27)22-24(3)20-18-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKey ZAZYWEOZHKFJOJ-UHFFFAOYSA-N
Molecular Weight 406.757 g/mol
SMILES CCCCCCCCCCCCCc1c(C)cc(CC(C)CCCCCC)s1
SPLASH splash10-002f-5970100000-9b9470ded2ce9d4a887e
Source of Spectrum W5-0-0-0
Synonyms Thiophene, 3-methyl-5-(2-methyloctyl)-2-tridecyl-
Wiley ID 1372434