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1,3,5-Tridecanoylbenzene

View entire compound with spectra: 1 MS (GC)

1,3,5-Tridecanoylbenzene
SpectraBase Compound ID 8ErqJ8WQQBO
InChI InChI=1S/C36H60O3/c1-4-7-10-13-16-19-22-25-34(37)31-28-32(35(38)26-23-20-17-14-11-8-5-2)30-33(29-31)36(39)27-24-21-18-15-12-9-6-3/h28-30H,4-27H2,1-3H3
InChIKey MFGKFQHFYRRCPX-UHFFFAOYSA-N
Mol Weight 540.9 g/mol
Molecular Formula C36H60O3
Exact Mass 540.454246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YRTBSFWyB4
Name 1,3,5-Tridecanoylbenzene
Alternate Name(s) 1-(3,5-didecanoylphenyl)-1-decanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H60O3
InChI InChI=1S/C36H60O3/c1-4-7-10-13-16-19-22-25-34(37)31-28-32(35(38)26-23-20-17-14-11-8-5-2)30-33(29-31)36(39)27-24-21-18-15-12-9-6-3/h28-30H,4-27H2,1-3H3
InChIKey MFGKFQHFYRRCPX-UHFFFAOYSA-N
Molecular Weight 540.873 g/mol
SMILES c1(cc(C(=O)CCCCCCCCC)cc(c1)C(=O)CCCCCCCCC)C(=O)CCCCCCCCC
SPLASH splash10-066r-9044310000-addc077b0c6d85b57134
Source of Spectrum QA-40-401-1
Wiley ID 861690