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

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2-Phenyl-4-(2-methoxy-2-methyl-propyl)-2,4,5-triaza-cyclopenta-1,3-diene isomer 1
SpectraBase Compound ID 9NYXuDGPRAZ
InChI InChI=1S/C13H17N3O3/c1-13(2,19-3)9-15-12(18)16(11(17)14-15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,17)
InChIKey DPUKQUPLOYNZPM-UHFFFAOYSA-N
Mol Weight 263.3 g/mol
Molecular Formula C13H17N3O3
Exact Mass 263.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiREmfaEdr2
Name 2-Phenyl-4-(2-methoxy-2-methyl-propyl)-2,4,5-triaza-cyclopenta-1,3-diene isomer 1
CAS Registry Number 110243-12-4
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H17N3O3
InChI InChI=1S/C13H17N3O3/c1-13(2,19-3)9-15-12(18)16(11(17)14-15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,17)
InChIKey DPUKQUPLOYNZPM-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