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Pimelic acid, 3-ethylphenyl pentyl ester
SpectraBase Compound ID 28zvFnzCQ4Q
InChI InChI=1S/C20H30O4/c1-3-5-9-15-23-19(21)13-7-6-8-14-20(22)24-18-12-10-11-17(4-2)16-18/h10-12,16H,3-9,13-15H2,1-2H3
InChIKey LAQWUNRXPBNHOW-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoPp9Cdy2NV
Name Pimelic acid, 3-ethylphenyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-3-5-9-15-23-19(21)13-7-6-8-14-20(22)24-18-12-10-11-17(4-2)16-18/h10-12,16H,3-9,13-15H2,1-2H3
InChIKey LAQWUNRXPBNHOW-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCCCCC)=O
SPLASH splash10-00fu-6910000000-499df1514147bd72138d
Source of Spectrum TIPS-2022-488-0
Wiley ID 1822005