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4-FORMYL-2-FORMYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE

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4-FORMYL-2-FORMYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 8rfiV21mtK2
InChI InChI=1S/C9H13N3O2S/c13-6-10-8-11-12(7-14)9(15-8)4-2-1-3-5-9/h6-7H,1-5H2,(H,10,11,13)
InChIKey IJKXDCALHPNYLF-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C9H13N3O2S
Exact Mass 227.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VrDwpaMo2F
Name 4-Formyl-2-formamido-5,5-pentamethylene-4,5-dihydro-1,3,4-thiadiazole
CAS Registry Number 107261-61-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13N3O2S
InChI InChI=1S/C9H13N3O2S/c13-6-10-8-11-12(7-14)9(15-8)4-2-1-3-5-9/h6-7H,1-5H2,(H,10,11,13)
InChIKey IJKXDCALHPNYLF-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