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Pimelic acid, di(5-methoxy-3-methylpentyl) ester
SpectraBase Compound ID IJupdGkZfOr
InChI InChI=1S/C21H40O6/c1-18(10-14-24-3)12-16-26-20(22)8-6-5-7-9-21(23)27-17-13-19(2)11-15-25-4/h18-19H,5-17H2,1-4H3
InChIKey MMPOQFOCDBLAEE-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C21H40O6
Exact Mass 388.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KGCiJ9yWDo
Name Pimelic acid, di(5-methoxy-3-methylpentyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O6
InChI InChI=1S/C21H40O6/c1-18(10-14-24-3)12-16-26-20(22)8-6-5-7-9-21(23)27-17-13-19(2)11-15-25-4/h18-19H,5-17H2,1-4H3
InChIKey MMPOQFOCDBLAEE-UHFFFAOYSA-N
Molecular Weight 388.545 g/mol
SMILES C(CCCCCC(OCCC(CCOC)C)=O)(OCCC(CCOC)C)=O
SPLASH splash10-014i-9700000000-8e87a8aea18f7582d446
Source of Spectrum TIPS-2022-953-0
Wiley ID 1822470