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(2S)-5-bromo-2-(tert-butoxycarbonylamino)hex-5-enoic acid benzyl ester
SpectraBase Compound ID HyJI7AWl2Ha
InChI InChI=1S/C18H24BrNO4/c1-13(19)10-11-15(20-17(22)24-18(2,3)4)16(21)23-12-14-8-6-5-7-9-14/h5-9,15H,1,10-12H2,2-4H3,(H,20,22)/t15-/m0/s1
InChIKey HAKVSJUASLKSJZ-HNNXBMFYSA-N
Mol Weight 398.3 g/mol
Molecular Formula C18H24BrNO4
Exact Mass 397.088871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUgZbp2cXby
Name (2S)-5-bromo-2-(tert-butoxycarbonylamino)hex-5-enoic acid benzyl ester
Alternate Name(s) (2S)-5-bromo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-hexenoic acid (phenylmethyl) ester (phenylmethyl) (2S)-5-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate benzyl (2S)-5-bromo-2-(tert-butoxycarbonylamino)hex-5-enoate benzyl (2S)-5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
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Formula C18H24BrNO4
InChI InChI=1S/C18H24BrNO4/c1-13(19)10-11-15(20-17(22)24-18(2,3)4)16(21)23-12-14-8-6-5-7-9-14/h5-9,15H,1,10-12H2,2-4H3,(H,20,22)/t15-/m0/s1
InChIKey HAKVSJUASLKSJZ-HNNXBMFYSA-N
Molecular Weight 398.297 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCC(=C)Br)[H]
SPLASH splash10-0007-0069000000-5130097774f4e843638d
Source of Spectrum J-60-2214-9
Wiley ID 1367883