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N-(2-oxo-2H-1-benzopyran-4-yl)proline N'-methoxy-N'-methylamide

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

N-(2-oxo-2H-1-benzopyran-4-yl)proline N'-methoxy-N'-methylamide
SpectraBase Compound ID LjvyIX5qAIQ
InChI InChI=1S/C16H18N2O4/c1-17(21-2)16(20)12-7-5-9-18(12)13-10-15(19)22-14-8-4-3-6-11(13)14/h3-4,6,8,10,12H,5,7,9H2,1-2H3/t12-/m0/s1
InChIKey YSHSPYUHZZMVJM-LBPRGKRZSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6EFZ1TgGReZ
Name N-(2-oxo-2H-1-Benzopyran-4-yl)proline N'-methoxy-N'-methylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.126657064 u
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-17(21-2)16(20)12-7-5-9-18(12)13-10-15(19)22-14-8-4-3-6-11(13)14/h3-4,6,8,10,12H,5,7,9H2,1-2H3/t12-/m0/s1
InChIKey YSHSPYUHZZMVJM-LBPRGKRZSA-N
Molecular Weight 302.330 g/mol
SMILES C1(N2[C@](C(N(OC)C)=O)(CCC2)[H])=CC(=O)OC=2C1=CC=CC2