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N-tert-Butoxycarbonyl-4-methoxy-5,5-dimethyl-3-[(E)-p-nitrocinnamoyl]-3-pyrrolin-2-one
SpectraBase Compound ID KO99Wbhy8Tv
InChI InChI=1S/C21H24N2O7/c1-20(2,3)30-19(26)22-18(25)16(17(29-6)21(22,4)5)15(24)12-9-13-7-10-14(11-8-13)23(27)28/h7-12H,1-6H3/b12-9+
InChIKey IFPGEXDMHQVXCW-FMIVXFBMSA-N
Mol Weight 416.43 g/mol
Molecular Formula C21H24N2O7
Exact Mass 416.158351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zfi6wIFb5a
Name N-tert-Butoxycarbonyl-4-methoxy-5,5-dimethyl-3-[(E)-p-nitrocinnamoyl]-3-pyrrolin-2-one
Alternate Name(s) (E)-tert-butyl 3-methoxy-2,2-dimethyl-4-(3-(4-nitrophenyl)acryloyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O7
InChI InChI=1S/C21H24N2O7/c1-20(2,3)30-19(26)22-18(25)16(17(29-6)21(22,4)5)15(24)12-9-13-7-10-14(11-8-13)23(27)28/h7-12H,1-6H3/b12-9+
InChIKey IFPGEXDMHQVXCW-FMIVXFBMSA-N
Molecular Weight 416.430 g/mol
SMILES C1(N(C(C(=C1C(\C=C\c1ccc(N(=O)=O)cc1)=O)OC)(C)C)C(OC(C)(C)C)=O)=O
SPLASH splash10-0aor-9427200000-144811d73184408c1118
Source of Spectrum F-69-3682-15a
Wiley ID 1737985