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N''-(1,3-benzothiazol-2-yl)-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]guanidine

View entire compound with spectra: 2 NMR

N''-(1,3-benzothiazol-2-yl)-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]guanidine
SpectraBase Compound ID JAJ4lm0c8Ce
InChI InChI=1S/C15H14N4O4S/c1-15(2)22-11(20)8(12(21)23-15)7-17-13(16)19-14-18-9-5-3-4-6-10(9)24-14/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKey YJVZLDKHCNMNEQ-UHFFFAOYSA-N
Mol Weight 346.36 g/mol
Molecular Formula C15H14N4O4S
Exact Mass 346.073576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5MH6lY15p3
Name N''-(1,3-benzothiazol-2-yl)-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]guanidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.073576117 u
Formula C15H14N4O4S
InChI InChI=1S/C15H14N4O4S/c1-15(2)22-11(20)8(12(21)23-15)7-17-13(16)19-14-18-9-5-3-4-6-10(9)24-14/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKey YJVZLDKHCNMNEQ-UHFFFAOYSA-N
Molecular Weight 346.361 g/mol
SMILES N(\C(=N/C1=NC=2C=CC=CC2S1)N)C=C1C(OC(OC1=O)(C)C)=O