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(R,S)-2-[(1,5-Dihydro-5-oxoimidazo[2,1-b]quinazolin-2-yl)thio]propionic acid
SpectraBase Compound ID KkBAHPPmr4W
InChI InChI=1S/C13H11N3O3S/c1-7(12(18)19)20-10-6-16-11(17)8-4-2-3-5-9(8)14-13(16)15-10/h2-7H,1H3,(H,14,15)(H,18,19)/t7-/m1/s1
InChIKey WOUDOKXZLVUBJF-SSDOTTSWSA-N
Mol Weight 289.31 g/mol
Molecular Formula C13H11N3O3S
Exact Mass 289.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lCAdqIaNlK
Name (R,S)-2-[(1,5-Dihydro-5-oxoimidazo[2,1-b]quinazolin-2-yl)thio]propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O3S
InChI InChI=1S/C13H11N3O3S/c1-7(12(18)19)20-10-6-16-11(17)8-4-2-3-5-9(8)14-13(16)15-10/h2-7H,1H3,(H,14,15)(H,18,19)/t7-/m1/s1
InChIKey WOUDOKXZLVUBJF-SSDOTTSWSA-N
Molecular Weight 289.309 g/mol
SMILES N1C(S[C@@](C(=O)O)(C)[H])=CN2C1=Nc1c(C2=O)cccc1
SPLASH splash10-00di-0290000000-cd86d05d0e21f08a7fb7
Source of Spectrum J-66-4726-5
Synonyms (2R)-2-[(5-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-2-yl)sulfanyl]propanoic acid
Wiley ID 1535562