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4-(HYDROXYMETHYL)-3-NITROBENZOIC-ACID
SpectraBase Compound ID JCn8MKaP4s5
InChI InChI=1S/C8H7NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-3,10H,4H2,(H,11,12)
InChIKey KUOYLJCVVIDGBZ-UHFFFAOYSA-N
Mol Weight 197.15 g/mol
Molecular Formula C8H7NO5
Exact Mass 197.032422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuONCsPxYKF
Name 4-(HYDROXYMETHYL)-3-NITROBENZOIC-ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NO5
InChI InChI=1S/C8H7NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-3,10H,4H2,(H,11,12)
InChIKey KUOYLJCVVIDGBZ-UHFFFAOYSA-N
Literature Reference Author A.EISENFUEHR,P.S.ARORA,G.SENGLE,L.R.TAKAOKA,J.S.NOWICK,M.FAM ULOK
Literature Reference Citation BIOORG.MED.CHEM.,11,235(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00311-5
Molecular Weight 197.147 g/mol
Sample ID 38453
Solvent CD3OD