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Pimelic acid, 2-ethylphenyl pentadecyl ester
SpectraBase Compound ID AhNTHPPWVDh
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-26-33-29(31)24-17-16-18-25-30(32)34-28-23-20-19-22-27(28)4-2/h19-20,22-23H,3-18,21,24-26H2,1-2H3
InChIKey XEAAFTIQIPNDOL-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r5Av1V28G
Name Pimelic acid, 2-ethylphenyl pentadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-26-33-29(31)24-17-16-18-25-30(32)34-28-23-20-19-22-27(28)4-2/h19-20,22-23H,3-18,21,24-26H2,1-2H3
InChIKey XEAAFTIQIPNDOL-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-05bf-7900000000-b2b0b54a890733343fc7
Source of Spectrum TIPS-2022-436-0
Wiley ID 1821953