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3-Nitrophthalic acid (includes cyclized by-product)

View entire compound with spectra: 1 FTIR

3-Nitrophthalic acid (includes cyclized by-product)
SpectraBase Compound ID FcpHvj16fJA
InChI InChI=1S/C8H5NO6.C8H3NO5.H2O/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13;10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7;/h1-3H,(H,10,11)(H,12,13);1-3H;1H2
InChIKey MBDYLFSPENPAIC-UHFFFAOYSA-N
Mol Weight 422.258 g/mol
Molecular Formula C16H10N2O12
Exact Mass 422.023374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G92g1oYneZx
Name 3-Nitrophthalic acid (includes cyclized by-product)
CAS Registry Number 603-11-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Decomposition 203-206C
Detector Name TGS/TRIGLYCINE SULFATE/
Formula C8H5NO6
InChI InChI=1S/C8H5NO6.C8H3NO5.H2O/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13;10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7;/h1-3H,(H,10,11)(H,12,13);1-3H;1H2
InChIKey MBDYLFSPENPAIC-UHFFFAOYSA-N
Instrument Name DIGILAB FTS-14
Technique Vapor Phase