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5H-Thiazolo[3,2-c]pyrimidine-3-carboxylic acid, hexahydro-2,2-dimethyl-5,7-dioxo-8-[(phenoxyacetyl)amino]-, [3S-(3.alpha.,8.beta.,8a.alpha.)]-
SpectraBase Compound ID EDBV4iKp8uV
InChI InChI=1S/C17H19N3O6S/c1-17(2)12(15(23)24)20-14(27-17)11(13(22)19-16(20)25)18-10(21)8-26-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,18,21)(H,23,24)(H,19,22,25)/t11-,12+,14-/m1/s1
InChIKey URAFTLAYURTYKR-MBNYWOFBSA-N
Mol Weight 393.41 g/mol
Molecular Formula C17H19N3O6S
Exact Mass 393.099457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXO8MmABQRG
Name 5H-Thiazolo[3,2-c]pyrimidine-3-carboxylic acid, hexahydro-2,2-dimethyl-5,7-dioxo-8-[(phenoxyacetyl)amino]-, [3S-(3.alpha.,8.beta.,8a.alpha.)]-
CAS Registry Number 68897-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O6S
InChI InChI=1S/C17H19N3O6S/c1-17(2)12(15(23)24)20-14(27-17)11(13(22)19-16(20)25)18-10(21)8-26-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,18,21)(H,23,24)(H,19,22,25)/t11-,12+,14-/m1/s1
InChIKey URAFTLAYURTYKR-MBNYWOFBSA-N
Molecular Weight 393.414 g/mol
SMILES N1C([C@]([C@@]2(N([C@@](C(=O)O)(C(S2)(C)C)[H])C1=O)[H])(NC(=O)COc1ccccc1)[H])=O
SPLASH splash10-03di-0932000000-a16394c45e8c13e3848b
Source of Spectrum KC-1978-821-0
Synonyms (3S,8R,8aR)-2,2-dimethyl-5,7-dioxo-8-[(phenoxyacetyl)amino]hexahydro-5H-[1,3]thiazolo[3,2-c]pyrimidine-3-carboxylic acid 2,2-Dimethyl-5,7-dioxo-8.beta.-phenoxy acetamido perhydrothiazolo[3,2-c]pyrimidine-3-carboxylate
Wiley ID 1366178