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Pyrrolidine-1-carboxylic acid, 2-(4-bromophenylaminocarbonyl)-, tert-butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Pyrrolidine-1-carboxylic acid, 2-(4-bromophenylaminocarbonyl)-, tert-butyl ester
SpectraBase Compound ID HZAHm5et6Ve
InChI InChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)19-10-4-5-13(19)14(20)18-12-8-6-11(17)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)
InChIKey ILBTUQAFJMLVKX-UHFFFAOYSA-N
Mol Weight 369.26 g/mol
Molecular Formula C16H21BrN2O3
Exact Mass 368.073556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zWyLVd8boA
Name Pyrrolidine-1-carboxylic acid, 2-(4-bromophenylaminocarbonyl)-, tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.073555541 u
Formula C16H21BrN2O3
InChI InChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)19-10-4-5-13(19)14(20)18-12-8-6-11(17)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)
InChIKey ILBTUQAFJMLVKX-UHFFFAOYSA-N
Molecular Weight 369.259 g/mol
SMILES C1(=CC=C(C=C1)NC(C1N(CCC1)C(OC(C)(C)C)=O)=O)Br