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Methyl (2S)-N-tert-Butoxycarbonyl-4-difluoromethylprolinate
SpectraBase Compound ID 6baKyEVkQgR
InChI InChI=1S/C12H19F2NO4/c1-12(2,3)19-11(17)15-6-7(9(13)14)5-8(15)10(16)18-4/h7-9H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKey KYNGQSUNGBXIPS-MQWKRIRWSA-N
Mol Weight 279.28 g/mol
Molecular Formula C12H19F2NO4
Exact Mass 279.128214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KTb87phdo3
Name Methyl (2S)-N-tert-Butoxycarbonyl-4-difluoromethylprolinate
Alternate Name(s) 1-tert-butyl 2-methyl (2S)-4-(difluoromethyl)-1,2-pyrrolidinedicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C12H19F2NO4
InChI InChI=1S/C12H19F2NO4/c1-12(2,3)19-11(17)15-6-7(9(13)14)5-8(15)10(16)18-4/h7-9H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKey KYNGQSUNGBXIPS-MQWKRIRWSA-N
Molecular Weight 279.284 g/mol
SMILES C([C@]1(N(CC(C1)C(F)F)C(=O)OC(C)(C)C)[H])(=O)OC
SPLASH splash10-0a4i-9200000000-0c965aac058e7fe2a05e
Source of Spectrum C5-2004-337-8
Wiley ID 1616524