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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 3t9TiFptgOa
Name Diisobutyl 4-nitro-phthalate
CAS Registry Number 53577-26-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian XL-100
Literature Reference F.J. Williams, H.M. Relles, J.S. Manello, J. Org. Chem. 42, 3419 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6