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Pimelic acid, (2-naphthyl)methyl propyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, (2-naphthyl)methyl propyl ester
SpectraBase Compound ID 6Tb2RvOl1j4
InChI InChI=1S/C21H26O4/c1-2-14-24-20(22)10-4-3-5-11-21(23)25-16-17-12-13-18-8-6-7-9-19(18)15-17/h6-9,12-13,15H,2-5,10-11,14,16H2,1H3
InChIKey NXFBOFYVXLXVEE-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MCRSjT58bX
Name Pimelic acid, (2-naphthyl)methyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-2-14-24-20(22)10-4-3-5-11-21(23)25-16-17-12-13-18-8-6-7-9-19(18)15-17/h6-9,12-13,15H,2-5,10-11,14,16H2,1H3
InChIKey NXFBOFYVXLXVEE-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES C(CCCCCC(OCc1cc2c(cc1)cccc2)=O)(OCCC)=O
SPLASH splash10-052f-1900000000-d074640cebeddc920949
Source of Spectrum TIPS-2022-461-0
Wiley ID 1821978