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benzoic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-4-yl)-, methyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-4-yl)-, methyl ester
SpectraBase Compound ID 4RxoAxIsXyK
InChI InChI=1S/C18H16N2O4/c1-23-18(22)11-7-5-10(6-8-11)15-12(9-19)17(20)24-14-4-2-3-13(21)16(14)15/h5-8,15H,2-4,20H2,1H3
InChIKey UNTMIGZGOAQTEC-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C18H16N2O4
Exact Mass 324.111007 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IpJzqPN9cSf
Name benzoic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-4-yl)-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.111006999 u
Formula C18H16N2O4
InChI InChI=1S/C18H16N2O4/c1-23-18(22)11-7-5-10(6-8-11)15-12(9-19)17(20)24-14-4-2-3-13(21)16(14)15/h5-8,15H,2-4,20H2,1H3
InChIKey UNTMIGZGOAQTEC-UHFFFAOYSA-N
Molecular Weight 324.336 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5281
Solvent DMSO-d6
Source Vendor ID: NMR/9301393; Lab Info: VUR; Lab Number: VUR-0000524