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Sebacic acid, 2-(3-nitrophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(3-nitrophenyl)ethyl pentyl ester
SpectraBase Compound ID 7ezQKBCpJYD
InChI InChI=1S/C23H35NO6/c1-2-3-10-17-29-22(25)14-8-6-4-5-7-9-15-23(26)30-18-16-20-12-11-13-21(19-20)24(27)28/h11-13,19H,2-10,14-18H2,1H3
InChIKey HVNRVBAIJJPQNA-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C23H35NO6
Exact Mass 421.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLJ5GXoAONz
Name Sebacic acid, 2-(3-nitrophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.246437845 u
Formula C23H35NO6
InChI InChI=1S/C23H35NO6/c1-2-3-10-17-29-22(25)14-8-6-4-5-7-9-15-23(26)30-18-16-20-12-11-13-21(19-20)24(27)28/h11-13,19H,2-10,14-18H2,1H3
InChIKey HVNRVBAIJJPQNA-UHFFFAOYSA-N
Molecular Weight 421.534 g/mol
SMILES C(CCCCCCC(OCCCCC)=O)CC(OCCC1=CC(=CC=C1)N(=O)=O)=O