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2H-Pyrido[4,3-e]-1,3-oxazine-3(4H)-acetic acid, .alpha.,8-dimethyl-5-[(phosphonooxy)methyl]-, (S)-
SpectraBase Compound ID 8GmonbqiI3C
InChI InChI=1S/C12H17N2O7P/c1-7-11-10(4-14(6-20-11)8(2)12(15)16)9(3-13-7)5-21-22(17,18)19/h3,8H,4-6H2,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m0/s1
InChIKey OIUZYFOOBZOAIR-QMMMGPOBSA-N
Mol Weight 332.25 g/mol
Molecular Formula C12H17N2O7P
Exact Mass 332.077338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nYoOu2IDJ4
Name 2H-Pyrido[4,3-e]-1,3-oxazine-3(4H)-acetic acid, .alpha.,8-dimethyl-5-[(phosphonooxy)methyl]-, (S)-
CAS Registry Number 97611-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N2O7P
InChI InChI=1S/C12H17N2O7P/c1-7-11-10(4-14(6-20-11)8(2)12(15)16)9(3-13-7)5-21-22(17,18)19/h3,8H,4-6H2,1-2H3,(H,15,16)(H2,17,18,19)/t8-/m0/s1
InChIKey OIUZYFOOBZOAIR-QMMMGPOBSA-N
Molecular Weight 332.249 g/mol
SMILES OP(OCc1c2CN(COc2c(nc1)C)[C@](C(=O)O)(C)[H])(=O)O
SPLASH splash10-004i-1900000000-a6e71a89871329f9dee0
Source of Spectrum B-38-306-2
Synonyms (2S)-2-(8-methyl-5-[(phosphonooxy)methyl]-2H-pyrido[4,3-e][1,3]oxazin-3(4H)-yl)propanoic acid (S)-2-[8-methyl-5-(phosphonooxy)methyl-3,4-dihydro[4,3-e]-1,3-oxazin-3-yl]propanoic acid
Wiley ID 1329005