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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo3ivFgUz8N
Name 2-(2-acetoxyphenyl)-3,4-trans-dimethoxycarbonyl-5-phenyl-1-dehydro-2,3,4-trihydropyrrole
Alternate Name(s) Dimethyl (3R,4R)-2-[2-(acetyloxy)phenyl]-5-phenyl-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate
CAS Registry Number 122373-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c2c(OC(=O)C)cccc2)N=C1c1ccccc1)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0006-9241000000-3e23a1884b2124b604ae
Source of Spectrum AJ-62-812-10
Wiley ID 1367055