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2,2-Difluoro-4-[[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester
SpectraBase Compound ID 1eAcEigsRgI
InChI InChI=1S/C29H36F2N2O7/c1-27(2,3)39-24(35)22(17-29(30,31)25(36)40-28(4,5)6)32-23(34)20-13-15-21(16-14-20)33(7)26(37)38-18-19-11-9-8-10-12-19/h8-16,22H,17-18H2,1-7H3,(H,32,34)
InChIKey KRFVTOQEHATGOC-UHFFFAOYSA-N
Mol Weight 562.6 g/mol
Molecular Formula C29H36F2N2O7
Exact Mass 562.249058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRHnhltxswY
Name 2,2-Difluoro-4-[[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester
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Formula C29H36F2N2O7
InChI InChI=1S/C29H36F2N2O7/c1-27(2,3)39-24(35)22(17-29(30,31)25(36)40-28(4,5)6)32-23(34)20-13-15-21(16-14-20)33(7)26(37)38-18-19-11-9-8-10-12-19/h8-16,22H,17-18H2,1-7H3,(H,32,34)
InChIKey KRFVTOQEHATGOC-UHFFFAOYSA-N
Molecular Weight 562.611 g/mol
SMILES N(C(c1ccc(N(C(OCc2ccccc2)=O)C)cc1)=O)C(C(OC(C)(C)C)=O)CC(C(OC(C)(C)C)=O)(F)F
SPLASH splash10-00kf-9050520000-5c556ca80f22d0fcade6
Source of Spectrum E1-39-70-11
Synonyms 4-[[4-[carbobenzoxy(methyl)amino]benzoyl]amino]-2,2-difluoro-glutaric acid ditert-butyl ester ditert-butyl 2,2-bis(fluoranyl)-4-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]pentanedioate ditert-butyl 2,2-difluoro-4-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioate
Wiley ID 1598646