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1H-Pyrrole-2-carboxylic acid, 5,5'-(2-nitro-1-propene-1,3-diyl)bis[3,4-dimethyl-, bis(1,1-dimethylethyl) ester, (E)-
SpectraBase Compound ID 1LF2TSKc0qE
InChI InChI=1S/C25H35N3O6/c1-13-15(3)20(22(29)33-24(5,6)7)26-18(13)11-17(28(31)32)12-19-14(2)16(4)21(27-19)23(30)34-25(8,9)10/h11,26-27H,12H2,1-10H3/b17-11+
InChIKey OZGOPMSIVYXLKE-GZTJUZNOSA-N
Mol Weight 473.6 g/mol
Molecular Formula C25H35N3O6
Exact Mass 473.252586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L96hmzuqTa9
Name 1H-Pyrrole-2-carboxylic acid, 5,5'-(2-nitro-1-propene-1,3-diyl)bis[3,4-dimethyl-, bis(1,1-dimethylethyl) ester, (E)-
CAS Registry Number 114090-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35N3O6
InChI InChI=1S/C25H35N3O6/c1-13-15(3)20(22(29)33-24(5,6)7)26-18(13)11-17(28(31)32)12-19-14(2)16(4)21(27-19)23(30)34-25(8,9)10/h11,26-27H,12H2,1-10H3/b17-11+
InChIKey OZGOPMSIVYXLKE-GZTJUZNOSA-N
Molecular Weight 473.570 g/mol
SMILES [nH]1c(c(c(c1C\C(=C/c1c(c(c([nH]1)C(OC(C)(C)C)=O)C)C)N(=O)=O)C)C)C(OC(C)(C)C)=O
SPLASH splash10-0btc-4009500000-1d61e1808445c7f1823d
Source of Spectrum KC-1987-2042-0
Synonyms (E)-2-Nitro-1,3-bis(3,4-dimethyl-5-t-butoxycarbonylpyrrol-2-yl)propene tert-Butyl 5-{(2E)-3-[5-(tert-butoxycarbonyl)-3,4-dimethyl-1H-pyrrol-2-yl]-2-nitro-2-propenyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1393639