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Pimelic acid, 2-propylphenyl nonyl ester
SpectraBase Compound ID G44saEyMGWt
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-15-21-28-24(26)19-11-10-12-20-25(27)29-23-18-14-13-17-22(23)16-4-2/h13-14,17-18H,3-12,15-16,19-21H2,1-2H3
InChIKey QIULASYNOBQWTG-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ImvsDWDZzj
Name Pimelic acid, 2-propylphenyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-15-21-28-24(26)19-11-10-12-20-25(27)29-23-18-14-13-17-22(23)16-4-2/h13-14,17-18H,3-12,15-16,19-21H2,1-2H3
InChIKey QIULASYNOBQWTG-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCCCCCCCCC)=O
SPLASH splash10-05p6-5910000000-0425c1c695dae3b103ed
Source of Spectrum TIPS-2022-414-0
Wiley ID 1821931