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3-Pyridineacetic acid, .alpha.-[(benzoyloxy)phenylmethylene]-, methyl ester
SpectraBase Compound ID Gn9ecqsgvYV
InChI InChI=1S/C22H17NO4/c1-26-22(25)19(18-13-8-14-23-15-18)20(16-9-4-2-5-10-16)27-21(24)17-11-6-3-7-12-17/h2-15H,1H3/b20-19-
InChIKey YHMDHBPMVHHHAI-VXPUYCOJSA-N
Mol Weight 359.38 g/mol
Molecular Formula C22H17NO4
Exact Mass 359.115758 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EJgPVHZxGlI
Name 3-Pyridineacetic acid, .alpha.-[(benzoyloxy)phenylmethylene]-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.115758027 u
Formula C22H17NO4
InChI InChI=1S/C22H17NO4/c1-26-22(25)19(18-13-8-14-23-15-18)20(16-9-4-2-5-10-16)27-21(24)17-11-6-3-7-12-17/h2-15H,1H3/b20-19-
InChIKey YHMDHBPMVHHHAI-VXPUYCOJSA-N
Molecular Weight 359.381 g/mol
SMILES C(\C(=C\(OC(=O)C1=CC=CC=C1)C=1C=CC=CC1)C=1C=NC=CC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945241
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