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2-[1-Benzyl-1,2,3,4-tetrahydro-5,6-bis(methoxycarbonyl)-2-oxopyridin-3-yl]acetic acid

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2-[1-Benzyl-1,2,3,4-tetrahydro-5,6-bis(methoxycarbonyl)-2-oxopyridin-3-yl]acetic acid
SpectraBase Compound ID 8ULAmmMXPB9
InChI InChI=1S/C18H19NO7/c1-25-17(23)13-8-12(9-14(20)21)16(22)19(15(13)18(24)26-2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,20,21)
InChIKey FWPWRXYPBBKSFO-UHFFFAOYSA-N
Mol Weight 361.35 g/mol
Molecular Formula C18H19NO7
Exact Mass 361.116152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62Wn5cRElcP
Name 2-[1-Benzyl-1,2,3,4-tetrahydro-5,6-bis(methoxycarbonyl)-2-oxopyridin-3-yl]acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.116151949 u
Formula C18H19NO7
InChI InChI=1S/C18H19NO7/c1-25-17(23)13-8-12(9-14(20)21)16(22)19(15(13)18(24)26-2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,20,21)
InChIKey FWPWRXYPBBKSFO-UHFFFAOYSA-N
Molecular Weight 361.350 g/mol
SMILES C(CC1C(N(C(=C(C1)C(=O)OC)C(=O)OC)CC=1C=CC=CC1)=O)(=O)O