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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 GCYPOkiGTDg
Name 2-Acetamido-4-acetyl-5-methyl-D2,1,3,4-thiadiazoline-5-propanoic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference S. Andreae, E. Schmitz, H. Seeboth, J. Prakt. Chem. 328, 205 (1986).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6