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4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID 2vXXSRbFKbz
InChI InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)14-11(6-7-12(18)21-4)10(9-17-14)8-13(19)22-5/h9,17H,6-8H2,1-5H3
InChIKey WSRIXBHJBHEWNV-UHFFFAOYSA-N
Mol Weight 325.36 g/mol
Molecular Formula C16H23NO6
Exact Mass 325.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFd34zJLxvn
Name 4-(2-Keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.152537459 u
Formula C16H23NO6
InChI InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)14-11(6-7-12(18)21-4)10(9-17-14)8-13(19)22-5/h9,17H,6-8H2,1-5H3
InChIKey WSRIXBHJBHEWNV-UHFFFAOYSA-N
Molecular Weight 325.361 g/mol
SMILES C1(=C(C(CC(=O)OC)=CN1)CCC(=O)OC)C(OC(C)(C)C)=O