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benzamide, 3,4,5-trimethoxy-N-[3-[2-[(1-oxopropyl)amino]-4-thiazolyl]phenyl]-
SpectraBase Compound ID AdQcuOhWymg
InChI InChI=1S/C22H23N3O5S/c1-5-19(26)25-22-24-16(12-31-22)13-7-6-8-15(9-13)23-21(27)14-10-17(28-2)20(30-4)18(11-14)29-3/h6-12H,5H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKey LGPPLGRYNIDWFQ-UHFFFAOYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C22H23N3O5S
Exact Mass 441.135842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WE1tDyyPtL
Name Benzamide, 3,4,5-trimethoxy-N-[3-[2-[(1-oxopropyl)amino]-4-thiazolyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 441.135842022 u
Formula C22H23N3O5S
InChI InChI=1S/C22H23N3O5S/c1-5-19(26)25-22-24-16(12-31-22)13-7-6-8-15(9-13)23-21(27)14-10-17(28-2)20(30-4)18(11-14)29-3/h6-12H,5H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKey LGPPLGRYNIDWFQ-UHFFFAOYSA-N
Molecular Weight 441.502 g/mol
SMILES N(C(C=1C=C(OC)C(=C(C1)OC)OC)=O)C=1C=C(C=2N=C(SC2)NC(=O)CC)C=CC1