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1-(4-Methyl-5-tridecyl-2-thienyl)-1-dodecanone
SpectraBase Compound ID BZtiqfZeQvt
InChI InChI=1S/C30H54OS/c1-4-6-8-10-12-14-15-17-19-21-23-25-29-27(3)26-30(32-29)28(31)24-22-20-18-16-13-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKey AGGLNPNRUFAVKE-UHFFFAOYSA-N
Mol Weight 462.8 g/mol
Molecular Formula C30H54OS
Exact Mass 462.389538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8v5KLhvRVfR
Name 1-(4-Methyl-5-tridecyl-2-thienyl)-1-dodecanone
Alternate Name(s) 1-(4-Methyl-5-tridecyl-2-thienyl)dodecan-1-one 1-(4-Methyl-5-tridecyl-2-thiophenyl)-1-dodecanone 1-(4-Methyl-5-tridecyl-thiophen-2-yl)dodecan-1-one 1-Dodecanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
CAS Registry Number 59782-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54OS
InChI InChI=1S/C30H54OS/c1-4-6-8-10-12-14-15-17-19-21-23-25-29-27(3)26-30(32-29)28(31)24-22-20-18-16-13-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKey AGGLNPNRUFAVKE-UHFFFAOYSA-N
Molecular Weight 462.821 g/mol
SMILES CCCCCCCCCCCCCc1c(C)cc(C(CCCCCCCCCCC)=O)s1
SPLASH splash10-00di-8927100000-8b1f58f34d72fc5bdba3
Source of Spectrum W6-0-0-0
Wiley ID 124535