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Butyric acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Butyric acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenyl ester
SpectraBase Compound ID EuSfzzOlVQg
InChI InChI=1S/C20H20N2O4/c1-2-4-17(24)25-13-9-7-12(8-10-13)18-14(11-21)20(22)26-16-6-3-5-15(23)19(16)18/h7-10,18H,2-6,22H2,1H3
InChIKey NITGLXPUEVJSAN-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3gtpQJzOTv
Name butanoic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-4-yl)phenyl 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 352.142307128 u
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-2-4-17(24)25-13-9-7-12(8-10-13)18-14(11-21)20(22)26-16-6-3-5-15(23)19(16)18/h7-10,18H,2-6,22H2,1H3
InChIKey NITGLXPUEVJSAN-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17097
Solvent DMSO-d6
Source Vendor ID: NMR/10322201; Lab Info: DVD; Lab Number: DVD-0120029