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(Z/E)-N-[3-(4-Bromo-phenyl)-2-fluoro-2-propenyl]-aspartic acid di-tert-butyl ester
SpectraBase Compound ID 4y1aH4NPzL8
InChI InChI=1S/C21H29BrFNO4/c1-20(2,3)27-18(25)12-17(19(26)28-21(4,5)6)24-13-16(23)11-14-7-9-15(22)10-8-14/h7-11,17,24H,12-13H2,1-6H3/b16-11-/t17-/m0/s1
InChIKey IQJKUSSUCJDCRI-NIFLVVHWSA-N
Mol Weight 458.37 g/mol
Molecular Formula C21H29BrFNO4
Exact Mass 457.1264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3x97BTWXiQf
Name (Z/E)-N-[3-(4-Bromo-phenyl)-2-fluoro-2-propenyl]-aspartic acid di-tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29BrFNO4
InChI InChI=1S/C21H29BrFNO4/c1-20(2,3)27-18(25)12-17(19(26)28-21(4,5)6)24-13-16(23)11-14-7-9-15(22)10-8-14/h7-11,17,24H,12-13H2,1-6H3/b16-11-/t17-/m0/s1
InChIKey IQJKUSSUCJDCRI-NIFLVVHWSA-N
Molecular Weight 458.368 g/mol
SMILES N([C@@](CC(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)[H])C\C(=C\c1ccc(cc1)Br)F
SPLASH splash10-114j-0002900000-5aa631dd7874cd49a4a9
Source of Spectrum F-67-1402-5c
Wiley ID 1685778