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Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester
SpectraBase Compound ID Ey2dkYQMhjj
InChI InChI=1S/C19H19NO6/c1-3-10-25-18(21)15-5-7-16(8-6-15)19(22)26-12-14-4-9-17(20(23)24)13(2)11-14/h4-9,11H,3,10,12H2,1-2H3
InChIKey HMXBOCVXAQQZSD-UHFFFAOYSA-N
Mol Weight 357.36 g/mol
Molecular Formula C19H19NO6
Exact Mass 357.121237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlMeteYNtdf
Name Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.121237330 u
Formula C19H19NO6
InChI InChI=1S/C19H19NO6/c1-3-10-25-18(21)15-5-7-16(8-6-15)19(22)26-12-14-4-9-17(20(23)24)13(2)11-14/h4-9,11H,3,10,12H2,1-2H3
InChIKey HMXBOCVXAQQZSD-UHFFFAOYSA-N
Molecular Weight 357.362 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC1=CC(C)=C(C=C1)N(=O)=O