Debug Info

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1Fwgy0cSTIn
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1Fwgy0cSTIn
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17O NMR
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17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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4-Nitro-benzoic acid, methyl ester
SpectraBase Compound ID A6hMuuoUySt
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey YOJAHJGBFDPSDI-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol
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17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Fwgy0cSTIn
Name 4-NITRO-BENZOIC_ACID-METHYLESTER
CAS Registry Number 619-50-1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey YOJAHJGBFDPSDI-UHFFFAOYSA-N
Literature Reference Author A.J.RAGAUSKAS,J.B.STOTHERS
Literature Reference Citation J.AM.CHEM.SOC.,104,6475(1982)
Literature Reference DOI 10.1021/ja00387a066
Solvent CH3CN
Source File Reference UHPK2931
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