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(2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-methylpent-4-enoic acid
SpectraBase Compound ID 7EbY8sdIWXR
InChI InChI=1S/C11H19NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h6-8H,1H2,2-5H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChIKey AVIBDPLENQNIOH-SFYZADRCSA-N
Mol Weight 229.28 g/mol
Molecular Formula C11H19NO4
Exact Mass 229.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WigSutmpeH
Name (2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-methylpent-4-enoic acid
Appearance White solid
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Formula C11H19NO4
InChI InChI=1S/C11H19NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h6-8H,1H2,2-5H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChIKey AVIBDPLENQNIOH-SFYZADRCSA-N
Instrument Name Finnigan MAT Incos 50 Galaxy System
Ionization Type EI
Molecular Weight 229.276 g/mol
Optical Rotation [a]D20 = 36.6 (c = 1.110, CHCl3)
SMILES N([C@](C(=O)O)([C@](C)(C=C)[H])[H])C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9200000000-472befb18b3b239d85df
Sample Comments dr = 18:1 (syn:anti), 86% ee
Source of Spectrum US20140100217A1
Wiley ID 1849862