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5-(4-Isopropyl-phenyl)-2,3-dihydro-1,2,4-triazol-3-one
SpectraBase Compound ID 4KmPLCqf4Ac
InChI InChI=1S/C11H13N3O/c1-7(2)8-3-5-9(6-4-8)10-12-11(15)14-13-10/h3-7H,1-2H3,(H2,12,13,14,15)
InChIKey INMUPSLUUBQFRJ-UHFFFAOYSA-N
Mol Weight 203.25 g/mol
Molecular Formula C11H13N3O
Exact Mass 203.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OoiA5CYueZ
Name 5-(4-Isopropyl-phenyl)-2,3-dihydro-1,2,4-triazol-3-one
CAS Registry Number 59812-16-7
Comments STRUCTURE IS CHANGED FROM 4-T-BUTYL TO 4-ISOPROPYL (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H13N3O
InChI InChI=1S/C11H13N3O/c1-7(2)8-3-5-9(6-4-8)10-12-11(15)14-13-10/h3-7H,1-2H3,(H2,12,13,14,15)
InChIKey INMUPSLUUBQFRJ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference W.M. Litchman, U. Hollstein, Org. Magn. Resonance 11, 137 (1978).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6