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Pimelic acid, 5-methoxy-3-phenylpentyl butyl ester
SpectraBase Compound ID G0dgDn5O84N
InChI InChI=1S/C23H36O5/c1-3-4-17-27-22(24)13-9-6-10-14-23(25)28-19-16-21(15-18-26-2)20-11-7-5-8-12-20/h5,7-8,11-12,21H,3-4,6,9-10,13-19H2,1-2H3
InChIKey ZSJBALPJNLJEQV-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4Dqc8cNY2Z
Name Pimelic acid, 5-methoxy-3-phenylpentyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-3-4-17-27-22(24)13-9-6-10-14-23(25)28-19-16-21(15-18-26-2)20-11-7-5-8-12-20/h5,7-8,11-12,21H,3-4,6,9-10,13-19H2,1-2H3
InChIKey ZSJBALPJNLJEQV-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OCCCC)=O
SPLASH splash10-002f-2900000000-1ac6852c801bcc3c7c6b
Source of Spectrum TIPS-2022-913-0
Wiley ID 1822430