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DL-N-[4-(Methylamino]benzoyl]-4,4-difluoroglutamic acid Di-tert-butyl ester
SpectraBase Compound ID IOTU8BtvRhb
InChI InChI=1S/C21H30F2N2O5/c1-19(2,3)29-17(27)15(12-21(22,23)18(28)30-20(4,5)6)25-16(26)13-8-10-14(24-7)11-9-13/h8-11,15,24H,12H2,1-7H3,(H,25,26)
InChIKey KWZDRAAYDYGKDR-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C21H30F2N2O5
Exact Mass 428.212278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pygFqcbWXn
Name DL-N-[4-(Methylamino]benzoyl]-4,4-difluoroglutamic acid Di-tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30F2N2O5
InChI InChI=1S/C21H30F2N2O5/c1-19(2,3)29-17(27)15(12-21(22,23)18(28)30-20(4,5)6)25-16(26)13-8-10-14(24-7)11-9-13/h8-11,15,24H,12H2,1-7H3,(H,25,26)
InChIKey KWZDRAAYDYGKDR-UHFFFAOYSA-N
Molecular Weight 428.477 g/mol
SMILES N(C(c1ccc(cc1)NC)=O)C(C(OC(C)(C)C)=O)CC(C(OC(C)(C)C)=O)(F)F
SPLASH splash10-001i-0910100000-2c4c7a2559a96e49b01c
Source of Spectrum E1-39-70-12
Synonyms di(tert-butyl) 2,2-difluoro-4-{[4-(methylamino)benzoyl]amino}pentanedioate 2,2-Difluoro-4-[[[4-(methylamino)phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester ditert-butyl 2,2-difluoro-4-[[4-(methylamino)benzoyl]amino]pentanedioate ditert-butyl 2,2-bis(fluoranyl)-4-[[4-(methylamino)phenyl]carbonylamino]pentanedioate
Wiley ID 1598645