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

View entire compound with spectra: 2 NMR, and 1 MS (GC)

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 Bs5Wybioe9W
Name 4-FORMYL-2-FORMYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author S.ANDREAE,E.SCHMITZ,H.SEEBOTH
Literature Reference Citation J.PRAKT.CHEM.,328,205(1986)
Literature Reference DOI 10.1002/prac.19863280209
Molecular Weight 227.281 g/mol
Solvent DMSO-D6
Source File Reference UWED10230