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4-Nitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide
SpectraBase Compound ID 1j9WuxYJE2I
InChI InChI=1S/C18H16N4O5S/c1-26-14-8-3-11(9-15(14)27-2)10-16-20-21-18(28-16)19-17(23)12-4-6-13(7-5-12)22(24)25/h3-9H,10H2,1-2H3,(H,19,21,23)
InChIKey YCYCMNVIBRFXQX-UHFFFAOYSA-N
Mol Weight 400.41 g/mol
Molecular Formula C18H16N4O5S
Exact Mass 400.084141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vWoRfzOvCR
Name 4-Nitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O5S
InChI InChI=1S/C18H16N4O5S/c1-26-14-8-3-11(9-15(14)27-2)10-16-20-21-18(28-16)19-17(23)12-4-6-13(7-5-12)22(24)25/h3-9H,10H2,1-2H3,(H,19,21,23)
InChIKey YCYCMNVIBRFXQX-UHFFFAOYSA-N
Molecular Weight 400.409 g/mol
SMILES N(c1sc(Cc2cc(OC)c(cc2)OC)nn1)C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0udi-9600000000-3f0f3257180bf81a9115
Synonyms N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide
Wiley ID 1447046