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3-Nitro-benzoic acid 4-benzyloxy-phenyl ester
SpectraBase Compound ID 6L8Nft3NNH0
InChI InChI=1S/C20H15NO5/c22-20(16-7-4-8-17(13-16)21(23)24)26-19-11-9-18(10-12-19)25-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKey QNVNLGXNNORDDN-UHFFFAOYSA-N
Mol Weight 349.34 g/mol
Molecular Formula C20H15NO5
Exact Mass 349.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zBbht5tU8C
Name 3-Nitro-benzoic acid 4-benzyloxy-phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.095022582 u
Formula C20H15NO5
InChI InChI=1S/C20H15NO5/c22-20(16-7-4-8-17(13-16)21(23)24)26-19-11-9-18(10-12-19)25-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKey QNVNLGXNNORDDN-UHFFFAOYSA-N
Molecular Weight 349.342 g/mol
SMILES C1(=CC(=CC=C1)N(=O)=O)C(OC1=CC=C(C=C1)OCC1=CC=CC=C1)=O