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Pimelic acid, 5-methoxy-3-phenylpentyl hexyl ester
SpectraBase Compound ID HNrlAeG4zr7
InChI InChI=1S/C25H40O5/c1-3-4-5-12-19-29-24(26)15-10-7-11-16-25(27)30-21-18-23(17-20-28-2)22-13-8-6-9-14-22/h6,8-9,13-14,23H,3-5,7,10-12,15-21H2,1-2H3
InChIKey LNVWLRNNRLWNNZ-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 2BnH49zTWIL
Name Pimelic acid, 5-methoxy-3-phenylpentyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-3-4-5-12-19-29-24(26)15-10-7-11-16-25(27)30-21-18-23(17-20-28-2)22-13-8-6-9-14-22/h6,8-9,13-14,23H,3-5,7,10-12,15-21H2,1-2H3
InChIKey LNVWLRNNRLWNNZ-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OCCCCCC)=O
SPLASH splash10-002f-2900000000-685c2d3554b8813749f7
Source of Spectrum TIPS-2022-915-0
Wiley ID 1822432