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2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID JzGOV8TAslD
InChI InChI=1S/C18H19N5O2S/c1-12-8-9-15(13(2)10-12)23-18(20-21-22-23)26-11-17(24)19-14-6-4-5-7-16(14)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKey YPQLBROYEGFLRJ-UHFFFAOYSA-N
Mol Weight 369.44 g/mol
Molecular Formula C18H19N5O2S
Exact Mass 369.125946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNQ2W0BwRMQ
Name 2-[1-(2,4-Dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 369.125946044 u
Formula C18H19N5O2S
InChI InChI=1S/C18H19N5O2S/c1-12-8-9-15(13(2)10-12)23-18(20-21-22-23)26-11-17(24)19-14-6-4-5-7-16(14)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKey YPQLBROYEGFLRJ-UHFFFAOYSA-N
Molecular Weight 369.443 g/mol
SMILES COC1=C(NC(CSC2=NN=NN2C2=CC=C(C=C2C)C)=O)C=CC=C1