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Pimelic acid, 2-propylphenyl undecyl ester
SpectraBase Compound ID AM73Vpb1uaf
InChI InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-17-23-30-26(28)21-13-12-14-22-27(29)31-25-20-16-15-19-24(25)18-4-2/h15-16,19-20H,3-14,17-18,21-23H2,1-2H3
InChIKey YWGDJKJMLVWPEZ-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55gL2RpEFeJ
Name Pimelic acid, 2-propylphenyl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-17-23-30-26(28)21-13-12-14-22-27(29)31-25-20-16-15-19-24(25)18-4-2/h15-16,19-20H,3-14,17-18,21-23H2,1-2H3
InChIKey YWGDJKJMLVWPEZ-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-054x-5910000000-ef042f869c8e6434a3f0
Source of Spectrum TIPS-2022-416-0
Wiley ID 1821933