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Pimelic acid, 2-propylphenyl propyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-propylphenyl propyl ester
SpectraBase Compound ID 2ANfO29cHzQ
InChI InChI=1S/C19H28O4/c1-3-10-16-11-8-9-12-17(16)23-19(21)14-7-5-6-13-18(20)22-15-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3
InChIKey LBIOPNRPSINMJJ-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VaGIcfgA3
Name Pimelic acid, 2-propylphenyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-3-10-16-11-8-9-12-17(16)23-19(21)14-7-5-6-13-18(20)22-15-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3
InChIKey LBIOPNRPSINMJJ-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCCC)=O
SPLASH splash10-0553-6900000000-fc4652038eb1df524e4c
Source of Spectrum TIPS-2022-406-0
Wiley ID 1821923