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Pimelic acid, 3-nitrobenzyl pentyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 3-nitrobenzyl pentyl ester
SpectraBase Compound ID 2bPvFqyjJZ8
InChI InChI=1S/C19H27NO6/c1-2-3-7-13-25-18(21)11-5-4-6-12-19(22)26-15-16-9-8-10-17(14-16)20(23)24/h8-10,14H,2-7,11-13,15H2,1H3
InChIKey XBIICVMLRUOMAE-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C19H27NO6
Exact Mass 365.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pKMV07qbfi
Name Pimelic acid, 3-nitrobenzyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-2-3-7-13-25-18(21)11-5-4-6-12-19(22)26-15-16-9-8-10-17(14-16)20(23)24/h8-10,14H,2-7,11-13,15H2,1H3
InChIKey XBIICVMLRUOMAE-UHFFFAOYSA-N
Molecular Weight 365.426 g/mol
SMILES C(CCCCCC(OCc1cccc(c1)N(=O)=O)=O)(OCCCCC)=O
SPLASH splash10-002u-7910000000-9c9eef88bcc7f92a6511
Source of Spectrum TIPS-2022-695-0
Wiley ID 1822212