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(+/-)-Benzyl N-[(1S,7aS)-7,7-difluoropyrrolizidin-1-yl]carbamate
SpectraBase Compound ID 3GGd5n306Ab
InChI InChI=1S/C15H18F2N2O2/c16-15(17)7-9-19-8-6-12(13(15)19)18-14(20)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,20)/t12-,13-/m0/s1
InChIKey KDADDLOGHCQOLE-STQMWFEESA-N
Mol Weight 296.32 g/mol
Molecular Formula C15H18F2N2O2
Exact Mass 296.133634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKhhWBXG72C
Name (+/-)-Benzyl N-[(1S,7aS)-7,7-difluoropyrrolizidin-1-yl]carbamate
Appearance Yellow solid
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Formula C15H18F2N2O2
InChI InChI=1S/C15H18F2N2O2/c16-15(17)7-9-19-8-6-12(13(15)19)18-14(20)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,20)/t12-,13-/m0/s1
InChIKey KDADDLOGHCQOLE-STQMWFEESA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202200081
Molecular Weight 296.318 g/mol
Reported Formula C15H18F2N2O2
SMILES N([C@]1(CCN2[C@@]1(C(CC2)(F)F)[H])[H])C(OCc1ccccc1)=O
SPLASH splash10-002e-3920000000-a12dc47558ea58c8e681
Source of Spectrum CBC-23-SM45-22
Wiley ID 1871730