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2-Phenyl-4-(1-methyl-2-propenyl)-2,4,5-triaza-cyclopenta-1,3-diene isomer 1

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2-Phenyl-4-(1-methyl-2-propenyl)-2,4,5-triaza-cyclopenta-1,3-diene isomer 1
SpectraBase Compound ID 3E4DQ8hZAf1
InChI InChI=1S/C12H13N3O2/c1-3-9(2)15-12(17)14(11(16)13-15)10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,13,16)
InChIKey HQEPUNUDLKHJOU-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQk4jGb2rTB
Name 2-Phenyl-4-(1-methyl-2-propenyl)-2,4,5-triaza-cyclopenta-1,3-diene isomer 1
CAS Registry Number 73970-94-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c1-3-9(2)15-12(17)14(11(16)13-15)10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,13,16)
InChIKey HQEPUNUDLKHJOU-UHFFFAOYSA-N
Literature Reference F. Jensen, C.S. Foote, J. Am. Chem. Soc. 109, 6376 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3