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2H-Pyrido[4,3-e]-1,3-oxazine-3(4H)-acetic acid, 5-(hydroxymethyl)-.alpha.,8-dimethyl-, (S)-
SpectraBase Compound ID 5swr4vuyHjW
InChI InChI=1S/C12H16N2O4/c1-7-11-10(9(5-15)3-13-7)4-14(6-18-11)8(2)12(16)17/h3,8,15H,4-6H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey AMGGWLJCHLZFLS-QMMMGPOBSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmIdJ0GRNkd
Name 2H-Pyrido[4,3-e]-1,3-oxazine-3(4H)-acetic acid, 5-(hydroxymethyl)-.alpha.,8-dimethyl-, (S)-
CAS Registry Number 97611-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-7-11-10(9(5-15)3-13-7)4-14(6-18-11)8(2)12(16)17/h3,8,15H,4-6H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey AMGGWLJCHLZFLS-QMMMGPOBSA-N
Molecular Weight 252.270 g/mol
SMILES OCc1c2CN([C@](C(=O)O)(C)[H])COc2c(nc1)C
SPLASH splash10-0pbc-5960000000-dcfa38956a78084a329f
Source of Spectrum B-38-305-2
Synonyms (2S)-2-(5-(hydroxymethyl)-8-methyl-2H-pyrido[4,3-e][1,3]oxazin-3(4H)-yl)propanoic acid (S)-2-[5-hydroxymethyl-8-methyl-3,4-dihydro[4,3-e]-1,3-oxazin-3-yl]propanoic acid
Wiley ID 1255220