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7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazine, 6-[4-(1H-pyrrol-1-yl)phenyl]-3-(trifluoromethyl)-
SpectraBase Compound ID DCQH1BobK69
InChI InChI=1S/C15H10F3N5S/c16-15(17,18)13-19-20-14-23(13)21-12(9-24-14)10-3-5-11(6-4-10)22-7-1-2-8-22/h1-8H,9H2
InChIKey WCXWQDPPIJZQEK-UHFFFAOYSA-N
Mol Weight 349.34 g/mol
Molecular Formula C15H10F3N5S
Exact Mass 349.060901 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdM7YvwpSSU
Name 7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazine, 6-[4-(1H-pyrrol-1-yl)phenyl]-3-(trifluoromethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10F3N5S
InChI InChI=1S/C15H10F3N5S/c16-15(17,18)13-19-20-14-23(13)21-12(9-24-14)10-3-5-11(6-4-10)22-7-1-2-8-22/h1-8H,9H2
InChIKey WCXWQDPPIJZQEK-UHFFFAOYSA-N
Molecular Weight 349.335 g/mol
SMILES C(c1[n]2c(nn1)SCC(c1ccc(cc1)-[n]1cccc1)=N2)(F)(F)F
SPLASH splash10-014m-9802000000-6773daad66ea7d7244b7
Source of Spectrum IY-1-4485-2
Synonyms 6-[4-(1-pyrrolyl)phenyl]-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Wiley ID 1652835