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Pimelic acid, 5-methoxy-3-phenylpentyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 5-methoxy-3-phenylpentyl 4-methylpent-2-yl ester
SpectraBase Compound ID 46hEOBsgsuE
InChI InChI=1S/C25H40O5/c1-20(2)19-21(3)30-25(27)14-10-6-9-13-24(26)29-18-16-23(15-17-28-4)22-11-7-5-8-12-22/h5,7-8,11-12,20-21,23H,6,9-10,13-19H2,1-4H3
InChIKey DPZLAYARBLATSL-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EWHEn95MP2
Name Pimelic acid, 5-methoxy-3-phenylpentyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-20(2)19-21(3)30-25(27)14-10-6-9-13-24(26)29-18-16-23(15-17-28-4)22-11-7-5-8-12-22/h5,7-8,11-12,20-21,23H,6,9-10,13-19H2,1-4H3
InChIKey DPZLAYARBLATSL-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OC(CC(C)C)C)=O
SPLASH splash10-002f-2900000000-20c52edb906870149202
Source of Spectrum TIPS-2022-914-0
Wiley ID 1822431