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4-NITROPHTHALIC ACID, DIISOBUTYL ESTER

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4-NITROPHTHALIC ACID, DIISOBUTYL ESTER
SpectraBase Compound ID AGXHAi9tbAg
InChI InChI=1S/C16H21NO6/c1-10(2)8-22-15(18)13-6-5-12(17(20)21)7-14(13)16(19)23-9-11(3)4/h5-7,10-11H,8-9H2,1-4H3
InChIKey IDHZDYSNJPVUFK-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BATr20wAUDg
Name 4-NITROPHTHALIC ACID, DIISOBUTYL ESTER
Source of Sample F. J. Williams, H. M. Relles, J. S. Manello J. Org. Chem. 42, 3419(1977)
CAS Registry Number 53577-26-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-10(2)8-22-15(18)13-6-5-12(17(20)21)7-14(13)16(19)23-9-11(3)4/h5-7,10-11H,8-9H2,1-4H3
InChIKey IDHZDYSNJPVUFK-UHFFFAOYSA-N
Molecular Weight 323.35
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms PHTHALIC ACID, 4-NITRO-, DIISOBUTYL ESTER