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Butanoic acid, 2-nitro-4-(phenylamino)-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
SpectraBase Compound ID 6JJUA8HnRCu
InChI InChI=1S/C25H34N2O5/c1-24(2,3)19-15-18(31-7)16-20(25(4,5)6)22(19)32-23(28)21(27(29)30)13-14-26-17-11-9-8-10-12-17/h8-12,15-16,21,26H,13-14H2,1-7H3
InChIKey WKWGWSAVMSKGCV-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C25H34N2O5
Exact Mass 442.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmjZLfmZ339
Name Butanoic acid, 2-nitro-4-(phenylamino)-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
CAS Registry Number 113719-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O5
InChI InChI=1S/C25H34N2O5/c1-24(2,3)19-15-18(31-7)16-20(25(4,5)6)22(19)32-23(28)21(27(29)30)13-14-26-17-11-9-8-10-12-17/h8-12,15-16,21,26H,13-14H2,1-7H3
InChIKey WKWGWSAVMSKGCV-UHFFFAOYSA-N
Molecular Weight 442.556 g/mol
SMILES N(c1ccccc1)CCC(N(=O)=O)C(=O)Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C
SPLASH splash10-0a4r-4950000000-a494e008cd08c804184f
Synonyms 2,6-Ditert-butyl-4-methoxyphenyl 4-anilino-2-nitrobutanoate (2,6-ditert-butyl-4-methoxy-phenyl) 2-nitro-4-phenylazanyl-butanoate 4-Anilino-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester 4-Anilino-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester (2,6-ditert-butyl-4-methoxyphenyl) 4-anilino-2-nitrobutanoate
Wiley ID 1486273