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N-methyl-3-oxothio-1-pyrazolidinecarboximidic acid, m-chlorobenzyl ester, monohydrochloride
SpectraBase Compound ID 13CuKsVihCr
InChI InChI=1S/C12H14ClN3OS.ClH/c1-14-12(16-6-5-11(17)15-16)18-8-9-3-2-4-10(13)7-9;/h2-4,7H,5-6,8H2,1H3,(H,15,17);1H/b14-12+;
InChIKey QEJMHGVIGVNDGV-UNGNXWFZSA-N
Mol Weight 320.24 g/mol
Molecular Formula C12H15Cl2N3OS
Exact Mass 319.031289 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpOwVNEHVWD
Name N-methyl-3-oxothio-1-pyrazolidinecarboximidic acid, m-chlorobenzyl ester, monohydrochloride
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15Cl2N3OS
InChI InChI=1S/C12H14ClN3OS.ClH/c1-14-12(16-6-5-11(17)15-16)18-8-9-3-2-4-10(13)7-9;/h2-4,7H,5-6,8H2,1H3,(H,15,17);1H/b14-12+;
InChIKey QEJMHGVIGVNDGV-UNGNXWFZSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 59300M
Solvent Polysol