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tert-Butyl (2S)-4.alpha.-(hydroxy(p-methoxyphenyl)methyl)pyroglutamate
SpectraBase Compound ID IdVGk0VOV56
InChI InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)13-9-12(15(20)18-13)14(19)10-5-7-11(22-4)8-6-10/h5-8,12-14,19H,9H2,1-4H3,(H,18,20)/t12-,13+,14?/m1/s1
InChIKey MXWQDCFJTQZCME-AMIUJLCOSA-N
Mol Weight 321.37 g/mol
Molecular Formula C17H23NO5
Exact Mass 321.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YJj5kNO7bT
Name tert-Butyl (2S)-4.alpha.-(hydroxy(p-methoxyphenyl)methyl)pyroglutamate
Alternate Name(s) tert-Butyl (2S)-4.beta.-(hydroxy(p-methoxyphenyl)methyl)pyroglutamate tert-Butyl (2S,4R)-4-[hydroxy(4-methoxyphenyl)methyl]-5-oxo-2-pyrrolidinecarboxylate
CAS Registry Number 138858-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO5
InChI InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)13-9-12(15(20)18-13)14(19)10-5-7-11(22-4)8-6-10/h5-8,12-14,19H,9H2,1-4H3,(H,18,20)/t12-,13+,14?/m1/s1
InChIKey MXWQDCFJTQZCME-AMIUJLCOSA-N
Molecular Weight 321.373 g/mol
SMILES N1[C@@](C[C@](C(c2ccc(cc2)OC)O)(C1=O)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-00bi-0952000000-4d3ced75e76b15250950
Source of Spectrum J-57-1923-4
Wiley ID 1320896