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2-Heptadecyl-5-hexadecyl-3-methylthiophene
SpectraBase Compound ID 8mVqamY5zwq
InChI InChI=1S/C38H72S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-36(3)35-37(39-38)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3
InChIKey DJAHJFXSHCNLEE-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 Ib1fY5WvZ1y
Name 2-Heptadecyl-5-hexadecyl-3-methylthiophene
Alternate Name(s) 5-cetyl-2-heptadecyl-3-methyl-thiophene Thiophene, 2-heptadecyl-5-hexadecyl-3-methyl-
CAS Registry Number 59782-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H72S
InChI InChI=1S/C38H72S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-36(3)35-37(39-38)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3
InChIKey DJAHJFXSHCNLEE-UHFFFAOYSA-N
Molecular Weight 561.054 g/mol
SMILES CCCCCCCCCCCCCCCCCc1c(C)cc(CCCCCCCCCCCCCCCC)s1
SPLASH splash10-03di-9301070000-f38026827dc23543948b
Source of Spectrum W5-0-0-0
Wiley ID 1406808