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Pimelic acid, 5-methoxy-3-phenylpentyl ethyl ester
SpectraBase Compound ID CgYKxJUrTk0
InChI InChI=1S/C21H32O5/c1-3-25-20(22)12-8-5-9-13-21(23)26-17-15-19(14-16-24-2)18-10-6-4-7-11-18/h4,6-7,10-11,19H,3,5,8-9,12-17H2,1-2H3
InChIKey DJPHZHILNLTJIO-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwvBy3k0Wud
Name Pimelic acid, 5-methoxy-3-phenylpentyl ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-3-25-20(22)12-8-5-9-13-21(23)26-17-15-19(14-16-24-2)18-10-6-4-7-11-18/h4,6-7,10-11,19H,3,5,8-9,12-17H2,1-2H3
InChIKey DJPHZHILNLTJIO-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OCC)=O
SPLASH splash10-002f-2900000000-d8c417c55cf17925b31c
Source of Spectrum TIPS-2022-910-0
Wiley ID 1822427