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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGqnprKK9Sa
Name 2-ACETAMIDO-4-ACETYL-5-METHYL-delta2-1,3,4-THIADIAZOLINE-5-PROPIONIC ACID, METHYL ESTER
Source of Sample S. Andreae and S. Nowak, Academy of Sciences, Berlin, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Melting Point 119C
Molecular Weight 287.34
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20