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Propanedioic acid, [(4-methylphenoxy)(4-nitrophenyl)methylene]-, 1,1-dimethylethyl methyl ester, (E)-
SpectraBase Compound ID LbWwA3cYFIa
InChI InChI=1S/C22H23NO7/c1-14-6-12-17(13-7-14)29-19(15-8-10-16(11-9-15)23(26)27)18(20(24)28-5)21(25)30-22(2,3)4/h6-13H,1-5H3/b19-18+
InChIKey OKFJSDFMSDWDHP-VHEBQXMUSA-N
Mol Weight 413.43 g/mol
Molecular Formula C22H23NO7
Exact Mass 413.147452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62XPnprCRoo
Name Propanedioic acid, [(4-methylphenoxy)(4-nitrophenyl)methylene]-, 1,1-dimethylethyl methyl ester, (E)-
Alternate Name(s) (E)-tert-butyl methyl[.alpha.-(p-methylphenoxy)-p-nitrobenzylidene]malonate 1-tert-Butyl 3-methyl (2E)-2-[(4-methylphenoxy)(4-nitrophenyl)methylene]propanedioate
CAS Registry Number 106098-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO7
InChI InChI=1S/C22H23NO7/c1-14-6-12-17(13-7-14)29-19(15-8-10-16(11-9-15)23(26)27)18(20(24)28-5)21(25)30-22(2,3)4/h6-13H,1-5H3/b19-18+
InChIKey OKFJSDFMSDWDHP-VHEBQXMUSA-N
Molecular Weight 413.426 g/mol
SMILES c1(O\C(=C\(C(OC(C)(C)C)=O)C(=O)OC)c2ccc(N(=O)=O)cc2)ccc(cc1)C
SPLASH splash10-0zfr-0945000000-d951f8c24135fcdcd41a
Source of Spectrum J-51-4130-0
Wiley ID 1375006