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N-phenoxycarbonyl L-threonine methyl ester
SpectraBase Compound ID 4uf5KuJfuCJ
InChI InChI=1S/C12H15NO5/c1-8(14)10(11(15)17-2)13-12(16)18-9-6-4-3-5-7-9/h3-8,10,14H,1-2H3,(H,13,16)/t8-,10+/m1/s1
InChIKey IPBOTXQGNCLAMQ-SCZZXKLOSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4hA9Lf8bYY
Name N-phenoxycarbonyl L-threonine methyl ester
Appearance Yellowish oil
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Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-8(14)10(11(15)17-2)13-12(16)18-9-6-4-3-5-7-9/h3-8,10,14H,1-2H3,(H,13,16)/t8-,10+/m1/s1
InChIKey IPBOTXQGNCLAMQ-SCZZXKLOSA-N
Ionization Type EI
Molecular Weight 253.254 g/mol
Optical Rotation [a]D = -28.6 (c = 0.86, CHCl3)
Reported Formula C12H15NO5
SMILES N(C(Oc1ccccc1)=O)[C@@]([C@@](C)(O)[H])(C(OC)=O)[H]
SPLASH splash10-0006-9100000000-51957bc275c5b627d0b8
Source of Spectrum ES2391323A1
Wiley ID 1855033