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2-acetamino-4-acetyl-5-methyl-deltasquare-1,3,4-thiadiazolium-5-propionic acid, methyl ester

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 MS (GC)

2-acetamino-4-acetyl-5-methyl-deltasquare-1,3,4-thiadiazolium-5-propionic acid, methyl ester
SpectraBase Compound ID LHhmslqPslO
InChI InChI=1S/C11H17N3O4S/c1-7(15)12-10-13-14(8(2)16)11(3,19-10)6-5-9(17)18-4/h5-6H2,1-4H3,(H,12,13,15)
InChIKey ZIKCPSVLVFCBLP-UHFFFAOYSA-N
Mol Weight 287.33 g/mol
Molecular Formula C11H17N3O4S
Exact Mass 287.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hv9vxCTjkLY
Name 4-ACETYL-2-ACETYLAMINO-5-(2-METHOXYCARBONYL)-ETHYL-5-METHYL-4,5-DIHYDRO-1,3,4-THIADIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H17N3O4S
InChI InChI=1S/C11H17N3O4S/c1-7(15)12-10-13-14(8(2)16)11(3,19-10)6-5-9(17)18-4/h5-6H2,1-4H3,(H,12,13,15)
InChIKey ZIKCPSVLVFCBLP-UHFFFAOYSA-N
Literature Reference Author S.ANDREAE,E.SCHMITZ,H.SEEBOTH
Literature Reference Citation J.PRAKT.CHEM.,328,205(1986)
Literature Reference DOI 10.1002/prac.19863280209
Molecular Weight 287.334 g/mol
Solvent DMSO-D6
Source File Reference UWED10226