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1-Styryl-3-butanoyl-4-carbethoxy-1,8-dihydro-azocine
SpectraBase Compound ID 3ArX6sXUhsV
InChI InChI=1S/C22H25NO3/c1-3-10-21(24)20-17-23(16-14-18-11-6-5-7-12-18)15-9-8-13-19(20)22(25)26-4-2/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3/b9-8-,16-14-,19-13+,20-17+
InChIKey AGUMTRVOVVLASQ-OUSHLEBRSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ehuR3Ld1a0
Name 1-Styryl-3-butanoyl-4-carbethoxy-1,8-dihydro-azocine
CAS Registry Number 83253-47-8
Comments XL-100 OR PS-100, ASSIGNED BY I.K.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-3-10-21(24)20-17-23(16-14-18-11-6-5-7-12-18)15-9-8-13-19(20)22(25)26-4-2/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3/b9-8-,16-14-,19-13+,20-17+
InChIKey AGUMTRVOVVLASQ-OUSHLEBRSA-N
Instrument Name Varian XL-100
Literature Reference L.V. Yerino, M.E. Osborn, P.S. Mariano, Tetrahedron 38, 1579 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3