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1-(4-Methyl-5-pentadecyl-2-thienyl)-1-octadecanone
SpectraBase Compound ID 5ZsMBMdbhYR
InChI InChI=1S/C38H70OS/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-36(39)38-34-35(3)37(40-38)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
InChIKey QXTVHERSNLUQAC-UHFFFAOYSA-N
Mol Weight 575.0 g/mol
Molecular Formula C38H70OS
Exact Mass 574.514738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2fKlCx8q0Q
Name 1-(4-Methyl-5-pentadecyl-2-thienyl)-1-octadecanone
Alternate Name(s) 1-(4-Methyl-5-pentadecyl-2-thienyl)octadecan-1-one 1-(4-Methyl-5-pentadecyl-2-thiophenyl)-1-octadecanone 1-(4-Methyl-5-pentadecyl-thiophen-2-yl)octadecan-1-one 1-Octadecanone, 1-(4-methyl-5-pentadecyl-2-thienyl)-
CAS Registry Number 59782-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H70OS
InChI InChI=1S/C38H70OS/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-36(39)38-34-35(3)37(40-38)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
InChIKey QXTVHERSNLUQAC-UHFFFAOYSA-N
Molecular Weight 575.037 g/mol
SMILES CCCCCCCCCCCCCCCCCC(c1cc(C)c(CCCCCCCCCCCCCCC)s1)=O
SPLASH splash10-0udl-9207010000-95356d83e0c2033be312
Source of Spectrum W5-0-0-0
Wiley ID 1408101