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Pimelic acid, 5-methoxy-3-phenylpentyl nonyl ester
SpectraBase Compound ID AVVJMAOGG5R
InChI InChI=1S/C28H46O5/c1-3-4-5-6-7-8-15-22-32-27(29)18-13-10-14-19-28(30)33-24-21-26(20-23-31-2)25-16-11-9-12-17-25/h9,11-12,16-17,26H,3-8,10,13-15,18-24H2,1-2H3
InChIKey VDSOUXRCQDVENZ-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BukwLopABq
Name Pimelic acid, 5-methoxy-3-phenylpentyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-3-4-5-6-7-8-15-22-32-27(29)18-13-10-14-19-28(30)33-24-21-26(20-23-31-2)25-16-11-9-12-17-25/h9,11-12,16-17,26H,3-8,10,13-15,18-24H2,1-2H3
InChIKey VDSOUXRCQDVENZ-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OCCCCCCCCC)=O
SPLASH splash10-002f-2900000000-61206472e8f20890798f
Source of Spectrum TIPS-2022-918-0
Wiley ID 1822435