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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 6iYnRo7wjRU
Name BUTANOIC ACID, 4-[(4-FLUOROPHENYL)AMINO]-2-NITRO-, 2,6-BIS(1,1-DIMETHYLETHYL)-4-METHOXYPHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H33N2O5F
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 460.2365
SMILES N(CCC(C(Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C)=O)N(=O)=O)c1ccc(F)cc1
SPLASH splash10-002r-3690000000-f0ca51bf75c3a6364066
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany