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2-(2-Acetoxyphenyl)-3,4-trans-dimethoxycarbonyl-5-phenyl-1-dehydro-2,3,4-trihydropyrrole

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2-(2-Acetoxyphenyl)-3,4-trans-dimethoxycarbonyl-5-phenyl-1-dehydro-2,3,4-trihydropyrrole
SpectraBase Compound ID 5loXkv3ZDhi
InChI InChI=1S/C22H21NO6/c1-13(24)29-16-12-8-7-11-15(16)20-18(22(26)28-3)17(21(25)27-2)19(23-20)14-9-5-4-6-10-14/h4-12,17-18,20H,1-3H3/t17-,18-,20?/m1/s1
InChIKey YKJPMZDZQDSOJC-KUBVQFIISA-N
Mol Weight 395.41 g/mol
Molecular Formula C22H21NO6
Exact Mass 395.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1r8FkErSNvG
Name 2-(2-Acetoxyphenyl)-3,4-trans-dimethoxycarbonyl-5-phenyl-1-dehydro-2,3,4-trihydropyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.136887394 u
Formula C22H21NO6
InChI InChI=1S/C22H21NO6/c1-13(24)29-16-12-8-7-11-15(16)20-18(22(26)28-3)17(21(25)27-2)19(23-20)14-9-5-4-6-10-14/h4-12,17-18,20H,1-3H3/t17-,18-,20?/m1/s1
InChIKey YKJPMZDZQDSOJC-KUBVQFIISA-N
Molecular Weight 395.411 g/mol
SMILES [C@@]1([C@](C(C=2C(OC(=O)C)=CC=CC2)N=C1C1=CC=CC=C1)(C(=O)OC)[H])(C(=O)OC)[H]