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Pimelic acid, 2-ethylphenyl hexyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-ethylphenyl hexyl ester
SpectraBase Compound ID 263LrErLghi
InChI InChI=1S/C21H32O4/c1-3-5-6-12-17-24-20(22)15-8-7-9-16-21(23)25-19-14-11-10-13-18(19)4-2/h10-11,13-14H,3-9,12,15-17H2,1-2H3
InChIKey MHEPTZQRRMBRSG-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 4BAfisA2stn
Name Pimelic acid, 2-ethylphenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-5-6-12-17-24-20(22)15-8-7-9-16-21(23)25-19-14-11-10-13-18(19)4-2/h10-11,13-14H,3-9,12,15-17H2,1-2H3
InChIKey MHEPTZQRRMBRSG-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OCCCCCC)=O
SPLASH splash10-05bf-8910000000-00a1581aec6b53c0a823
Source of Spectrum TIPS-2022-428-0
Wiley ID 1821945