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5-(4-nitrophenyl)-3-propargyl-1,3,4-thiadiazol-2-one

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5-(4-nitrophenyl)-3-propargyl-1,3,4-thiadiazol-2-one
SpectraBase Compound ID K8vNymo12e7
InChI InChI=1S/C11H7N3O3S/c1-2-7-13-11(15)18-10(12-13)8-3-5-9(6-4-8)14(16)17/h1,3-6H,7H2
InChIKey QFXNZMCINPYGOZ-UHFFFAOYSA-N
Mol Weight 261.25 g/mol
Molecular Formula C11H7N3O3S
Exact Mass 261.020812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NtcYLQd0K9
Name 5-(4-Nitro-phenyl)-3-(2-propynyl)-1,3,4-thiadiazol-2(3H)-one
CAS Registry Number 97051-29-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H7N3O3S
InChI InChI=1S/C11H7N3O3S/c1-2-7-13-11(15)18-10(12-13)8-3-5-9(6-4-8)14(16)17/h1,3-6H,7H2
InChIKey QFXNZMCINPYGOZ-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference S.R. Salman, Z. Muhi-Eldeen, A.H.Yasin, Magn. Res. Chem. 24, 271 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3