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(1'S,2'S,5'S,2S)-Ethyl 2-[(2'-tert-butyldimethylsiloxypinylidene)amino]-3-bromo-3,3-difluoropropanoate

View entire compound with spectra: 1 MS (GC)

(1'S,2'S,5'S,2S)-Ethyl 2-[(2'-tert-butyldimethylsiloxypinylidene)amino]-3-bromo-3,3-difluoropropanoate
SpectraBase Compound ID JzpQP14Rsqk
InChI InChI=1S/C21H36BrF2NO3Si/c1-10-27-17(26)16(21(22,23)24)25-15-12-13-11-14(19(13,5)6)20(15,7)28-29(8,9)18(2,3)4/h13-14,16H,10-12H2,1-9H3/b25-15-/t13-,14-,16-,20-/m0/s1
InChIKey VVFKIAQVVVTBHW-KZQICJLRSA-N
Mol Weight 496.5 g/mol
Molecular Formula C21H36BrF2NO3Si
Exact Mass 495.16159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQqAwxezNxM
Name (1'S,2'S,5'S,2S)-Ethyl 2-[(2'-tert-butyldimethylsiloxypinylidene)amino]-3-bromo-3,3-difluoropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36BrF2NO3Si
InChI InChI=1S/C21H36BrF2NO3Si/c1-10-27-17(26)16(21(22,23)24)25-15-12-13-11-14(19(13,5)6)20(15,7)28-29(8,9)18(2,3)4/h13-14,16H,10-12H2,1-9H3/b25-15-/t13-,14-,16-,20-/m0/s1
InChIKey VVFKIAQVVVTBHW-KZQICJLRSA-N
Molecular Weight 496.509 g/mol
SMILES [C@@]1(\C(=N/[C@](C(F)(Br)F)(C(=O)OCC)[H])C[C@@]2(C[C@]1(C2(C)C)[H])[H])(O[Si](C(C)(C)C)(C)C)C
SPLASH splash10-00dr-7300900000-8984c82724bbf6539873
Source of Spectrum KD-12-1308-3
Synonyms Ethyl (2S)-3-bromo-2-[((1S,2S,3Z,5S)-2-{[tert-butyl(dimethyl)silyl]oxy}-2,6,6-trimethylbicyclo[3.1.1]hept-3-ylidene)amino]-3,3-difluoropropanoate
Wiley ID 1634433