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3-NITROPHTHALIC ACID, DIETHYL ESTER
SpectraBase Compound ID DfkLv9BD91r
InChI InChI=1S/C12H13NO6/c1-3-18-11(14)8-6-5-7-9(13(16)17)10(8)12(15)19-4-2/h5-7H,3-4H2,1-2H3
InChIKey XPSYMRWVHURDQP-UHFFFAOYSA-N
Mol Weight 267.24 g/mol
Molecular Formula C12H13NO6
Exact Mass 267.074287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMn0qEZmkRc
Name 3-NITROPHTHALIC ACID, DIETHYL ESTER
Source of Sample F. J. Williams, H. M. Relles, J. S. Manello J. Org. Chem. 42, 3419(1977)
CAS Registry Number 62351-79-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO6
InChI InChI=1S/C12H13NO6/c1-3-18-11(14)8-6-5-7-9(13(16)17)10(8)12(15)19-4-2/h5-7H,3-4H2,1-2H3
InChIKey XPSYMRWVHURDQP-UHFFFAOYSA-N
Molecular Weight 267.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms PHTHALIC ACID, 3-NITRO-, DIETHYL ESTER