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5H-Thiazolo[3,2-c]pyrimidine-3-carboxylic acid, hexahydro-2,2-dimethyl-5,7-dioxo-8-[(phenoxyacetyl)amino]-, 2,2,2-trichloroethyl ester, [3S-(3.alpha.,8.beta.,8a.alpha.)]-
SpectraBase Compound ID JoBZTtgPBQO
InChI InChI=1S/C19H20Cl3N3O6S/c1-18(2)13(16(28)31-9-19(20,21)22)25-15(32-18)12(14(27)24-17(25)29)23-11(26)8-30-10-6-4-3-5-7-10/h3-7,12-13,15H,8-9H2,1-2H3,(H,23,26)(H,24,27,29)/t12-,13+,15-/m1/s1
InChIKey WHHUZNCUBFGYSG-VNHYZAJKSA-N
Mol Weight 524.8 g/mol
Molecular Formula C19H20Cl3N3O6S
Exact Mass 523.01384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fO0HxRzHLN
Name 5H-Thiazolo[3,2-c]pyrimidine-3-carboxylic acid, hexahydro-2,2-dimethyl-5,7-dioxo-8-[(phenoxyacetyl)amino]-, 2,2,2-trichloroethyl ester, [3S-(3.alpha.,8.beta.,8a.alpha.)]-
CAS Registry Number 68897-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20Cl3N3O6S
InChI InChI=1S/C19H20Cl3N3O6S/c1-18(2)13(16(28)31-9-19(20,21)22)25-15(32-18)12(14(27)24-17(25)29)23-11(26)8-30-10-6-4-3-5-7-10/h3-7,12-13,15H,8-9H2,1-2H3,(H,23,26)(H,24,27,29)/t12-,13+,15-/m1/s1
InChIKey WHHUZNCUBFGYSG-VNHYZAJKSA-N
Molecular Weight 524.803 g/mol
SMILES N1C([C@]([C@@]2(N(C1=O)[C@](C(C)(C)S2)(C(OCC(Cl)(Cl)Cl)=O)[H])[H])(NC(=O)COc1ccccc1)[H])=O
SPLASH splash10-0udi-0910000000-38709d41c7dfb2d42cf4
Source of Spectrum KC-1978-821-0
Synonyms (3R,8S,8aR)-2,2,2-trichloroethyl 2,2-dimethyl-5,7-dioxo-8-phenoxyacetamido-perhydro thiazole-(3,2-c)pyrimidine-3-carboxylate 2,2,2-trichloroethyl (3S,8R,8aR)-2,2-dimethyl-5,7-dioxo-8-[(phenoxyacetyl)amino]hexahydro-5H-[1,3]thiazolo[3,2-c]pyrimidine-3-carboxylate
Wiley ID 1402356