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(R,S)-2-[[3-(Cyanomethyl)-3,4-dihydro-4-oxothieno[3,2-d]pyrimidine-2-yl]thio]propionic acid
SpectraBase Compound ID 8NoiUIKVihR
InChI InChI=1S/C11H9N3O3S2/c1-6(10(16)17)19-11-13-7-2-5-18-8(7)9(15)14(11)4-3-12/h2,5-6H,4H2,1H3,(H,16,17)/t6-/m1/s1
InChIKey PJMIAKVTHJXUKJ-ZCFIWIBFSA-N
Mol Weight 295.33 g/mol
Molecular Formula C11H9N3O3S2
Exact Mass 295.008534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPktvdtjNMi
Name (R,S)-2-[[3-(Cyanomethyl)-3,4-dihydro-4-oxothieno[3,2-d]pyrimidine-2-yl]thio]propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O3S2
InChI InChI=1S/C11H9N3O3S2/c1-6(10(16)17)19-11-13-7-2-5-18-8(7)9(15)14(11)4-3-12/h2,5-6H,4H2,1H3,(H,16,17)/t6-/m1/s1
InChIKey PJMIAKVTHJXUKJ-ZCFIWIBFSA-N
Molecular Weight 295.331 g/mol
SMILES OC([C@](SC=1N(C(=O)c2c(N1)ccs2)CC#N)(C)[H])=O
SPLASH splash10-00xr-0490000000-ba937c87c846e994fed7
Source of Spectrum J-66-4726-7
Synonyms (2R)-2-{[3-(cyanomethyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoic acid
Wiley ID 1535569