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Pimelic acid, hex-3-yl octyl ester
SpectraBase Compound ID EiLgCR09iIJ
InChI InChI=1S/C21H40O4/c1-4-7-8-9-10-14-18-24-20(22)16-12-11-13-17-21(23)25-19(6-3)15-5-2/h19H,4-18H2,1-3H3
InChIKey NBRBFUDKFSGOPR-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzYhZI0u1Hb
Name Pimelic acid, hex-3-yl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-4-7-8-9-10-14-18-24-20(22)16-12-11-13-17-21(23)25-19(6-3)15-5-2/h19H,4-18H2,1-3H3
InChIKey NBRBFUDKFSGOPR-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(CCCCCC(OC(CCC)CC)=O)(OCCCCCCCC)=O
SPLASH splash10-0006-6910000000-81c27bfccdfba470bb72
Source of Spectrum TIPS-2022-962-0
Wiley ID 1822479