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Butanoic acid, 4-[(4-fluorophenyl)amino]-2-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
SpectraBase Compound ID 7oASqMYsMix
InChI InChI=1S/C25H33FN2O5/c1-24(2,3)19-14-18(32-7)15-20(25(4,5)6)22(19)33-23(29)21(28(30)31)12-13-27-17-10-8-16(26)9-11-17/h8-11,14-15,21,27H,12-13H2,1-7H3
InChIKey CWIMDUINZVWWMW-UHFFFAOYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C25H33FN2O5
Exact Mass 460.23735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Nf8E8cQUWK
Name Butanoic acid, 4-[(4-fluorophenyl)amino]-2-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
Alternate Name(s) 2,6-Ditert-butyl-4-methoxyphenyl 4-(4-fluoroanilino)-2-nitrobutanoate (2,6-ditert-butyl-4-methoxy-phenyl) 4-[(4-fluorophenyl)amino]-2-nitro-butanoate 4-(4-fluoroanilino)-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester 4-(4-fluoroanilino)-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester (2,6-ditert-butyl-4-methoxyphenyl) 4-(4-fluoroanilino)-2-nitrobutanoate
CAS Registry Number 113719-08-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33FN2O5
InChI InChI=1S/C25H33FN2O5/c1-24(2,3)19-14-18(32-7)15-20(25(4,5)6)22(19)33-23(29)21(28(30)31)12-13-27-17-10-8-16(26)9-11-17/h8-11,14-15,21,27H,12-13H2,1-7H3
InChIKey CWIMDUINZVWWMW-UHFFFAOYSA-N
Molecular Weight 460.546 g/mol
SMILES N(c1ccc(cc1)F)CCC(N(=O)=O)C(=O)Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C
SPLASH splash10-002r-3690000000-60286be4bdfb497ec78b
Wiley ID 1486244