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N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-bromanyl-benzamide
SpectraBase Compound ID 3oAMBz1j5V2
InChI InChI=1S/C16H10BrN3O3S/c17-11-4-2-1-3-10(11)14(21)18-16-20-19-15(24-16)9-5-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,18,20,21)
InChIKey YMUDNQCJTMAGAL-UHFFFAOYSA-N
Mol Weight 404.24 g/mol
Molecular Formula C16H10BrN3O3S
Exact Mass 402.962625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19PZRMCApqF
Name 2-BROMO-N-{5-[3,4-(METHYLENEDIOXY)PHENYL]-1,3,4-THIADIAZOL-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H10BrN3O3S
InChI InChI=1S/C16H10BrN3O3S/c17-11-4-2-1-3-10(11)14(21)18-16-20-19-15(24-16)9-5-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,18,20,21)
InChIKey YMUDNQCJTMAGAL-UHFFFAOYSA-N
Molecular Weight 402.9624
SMILES N(C(c1ccccc1Br)=O)c1sc(-c2cc3OCOc3cc2)nn1
SPLASH splash10-0569-7901000000-e476c440b90826a9773b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany