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3-Methyl-2-benzothiazolinone, diazine with hydroxypyruvaldehyde

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Methyl-2-benzothiazolinone, diazine with hydroxypyruvaldehyde
SpectraBase Compound ID 8PDtvS9HB5X
InChI InChI=1S/C19H18N6OS2/c1-24-14-7-3-5-9-16(14)27-18(24)22-20-11-13(12-26)21-23-19-25(2)15-8-4-6-10-17(15)28-19/h3-11,26H,12H2,1-2H3/b20-11+,21-13-,22-18-,23-19-
InChIKey DONFUVOEEWPZGR-WSZCVVTESA-N
Mol Weight 410.51 g/mol
Molecular Formula C19H18N6OS2
Exact Mass 410.098352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Yb6qcq4YYj
Name 3-Methyl-2-benzothiazolinone, diazine with hydroxypyruvaldehyde
Comments Computed using HOSE algorithm
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Exact Mass 410.098351571 u
Formula C19H18N6OS2
InChI InChI=1S/C19H18N6OS2/c1-24-14-7-3-5-9-16(14)27-18(24)22-20-11-13(12-26)21-23-19-25(2)15-8-4-6-10-17(15)28-19/h3-11,26H,12H2,1-2H3/b20-11+,21-13-,22-18-,23-19-
InChIKey DONFUVOEEWPZGR-WSZCVVTESA-N
Molecular Weight 410.514 g/mol
SMILES OC\C(=N/N=C\1SC2=C(N1C)C=CC=C2)\C=N\N=C/1SC2=C(N1C)C=CC=C2