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Pimelic acid, 2-propylphenyl pentyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-propylphenyl pentyl ester
SpectraBase Compound ID 1b5VCRwDEuQ
InChI InChI=1S/C21H32O4/c1-3-5-11-17-24-20(22)15-7-6-8-16-21(23)25-19-14-10-9-13-18(19)12-4-2/h9-10,13-14H,3-8,11-12,15-17H2,1-2H3
InChIKey XYUIATZQTODNGF-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PD7LDVITw
Name Pimelic acid, 2-propylphenyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-5-11-17-24-20(22)15-7-6-8-16-21(23)25-19-14-10-9-13-18(19)12-4-2/h9-10,13-14H,3-8,11-12,15-17H2,1-2H3
InChIKey XYUIATZQTODNGF-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCCCCC)=O
SPLASH splash10-054x-7920000000-d1725e0d61d35d3dfb78
Source of Spectrum TIPS-2022-409-0
Wiley ID 1821926