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4-BENZOYL-2-BENZOYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE

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4-BENZOYL-2-BENZOYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID AwKoBN9iT2B
InChI InChI=1S/C21H21N3O2S/c25-18(16-10-4-1-5-11-16)22-20-23-24(19(26)17-12-6-2-7-13-17)21(27-20)14-8-3-9-15-21/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,22,23,25)
InChIKey QFUYKJFADOGOPB-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gh72kquzxoF
Name 4-Benzoyl-2-benzamido-5,5-pentamethylene-4,5-dihydro-1,3,4-thiadiazole
CAS Registry Number 107261-62-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21N3O2S
InChI InChI=1S/C21H21N3O2S/c25-18(16-10-4-1-5-11-16)22-20-23-24(19(26)17-12-6-2-7-13-17)21(27-20)14-8-3-9-15-21/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,22,23,25)
InChIKey QFUYKJFADOGOPB-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference S. Andreae, E. Schmitz, H. Seeboth, J. Prakt. Chem. 328, 205 (1986).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6