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Pimelic acid, 5-methoxy-3-phenylpentyl heptyl ester
SpectraBase Compound ID 1BbsXRiwx76
InChI InChI=1S/C26H42O5/c1-3-4-5-6-13-20-30-25(27)16-11-8-12-17-26(28)31-22-19-24(18-21-29-2)23-14-9-7-10-15-23/h7,9-10,14-15,24H,3-6,8,11-13,16-22H2,1-2H3
InChIKey JBOKVUWNQPDWAK-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVX8y54tGPI
Name Pimelic acid, 5-methoxy-3-phenylpentyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-3-4-5-6-13-20-30-25(27)16-11-8-12-17-26(28)31-22-19-24(18-21-29-2)23-14-9-7-10-15-23/h7,9-10,14-15,24H,3-6,8,11-13,16-22H2,1-2H3
InChIKey JBOKVUWNQPDWAK-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OCCCCCCC)=O
SPLASH splash10-002f-2900000000-66292580089270aac5b7
Source of Spectrum TIPS-2022-916-0
Wiley ID 1822433