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Pimelic acid, 3-ethylphenyl octyl ester
SpectraBase Compound ID 2CweYE4nhz6
InChI InChI=1S/C23H36O4/c1-3-5-6-7-8-12-18-26-22(24)16-10-9-11-17-23(25)27-21-15-13-14-20(4-2)19-21/h13-15,19H,3-12,16-18H2,1-2H3
InChIKey VTGFXBOHVSECMK-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12bmwOPLAPA
Name Pimelic acid, 3-ethylphenyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-3-5-6-7-8-12-18-26-22(24)16-10-9-11-17-23(25)27-21-15-13-14-20(4-2)19-21/h13-15,19H,3-12,16-18H2,1-2H3
InChIKey VTGFXBOHVSECMK-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCCCCCCCC)=O
SPLASH splash10-05fu-5910000000-8f757ce2906d96cf581b
Source of Spectrum TIPS-2022-492-0
Wiley ID 1822009