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N-(N-[(2S)-1-(2-chloroacetyl)prolyl]anilino)carbamic acid tert-butyl ester
SpectraBase Compound ID G3dNkV464Ml
InChI InChI=1S/C18H24ClN3O4/c1-18(2,3)26-17(25)20-22(13-8-5-4-6-9-13)16(24)14-10-7-11-21(14)15(23)12-19/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,20,25)/t14-/m0/s1
InChIKey MZBDLTNLAQHCCI-AWEZNQCLSA-N
Mol Weight 381.86 g/mol
Molecular Formula C18H24ClN3O4
Exact Mass 381.145534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mxz1EpNRzU
Name N-(N-[(2S)-1-(2-chloroacetyl)prolyl]anilino)carbamic acid tert-butyl ester
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Formula C18H24ClN3O4
InChI InChI=1S/C18H24ClN3O4/c1-18(2,3)26-17(25)20-22(13-8-5-4-6-9-13)16(24)14-10-7-11-21(14)15(23)12-19/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,20,25)/t14-/m0/s1
InChIKey MZBDLTNLAQHCCI-AWEZNQCLSA-N
Molecular Weight 381.860 g/mol
SMILES N(C(OC(C)(C)C)=O)N(C([C@]1(N(C(=O)CCl)CCC1)[H])=O)c1ccccc1
SPLASH splash10-00dj-7900000000-6a3a4d56ae0585be5625
Source of Spectrum KC-0-2308-28
Synonyms N-(N-[[(2S)-1-(2-chloro-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]anilino)carbamic acid tert-butyl ester tert-Butyl N-(N-[(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonyl]anilino)carbamate tert-Butyl N-[[(2S)-1-(2-chloranylethanoyl)pyrrolidin-2-yl]carbonyl-phenyl-amino]carbamate
Wiley ID 823040