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trans-Isomer

View entire compound with spectra: 1 NMR, and 1 MS (GC)

trans-Isomer
SpectraBase Compound ID GAd5V4TUSNO
InChI InChI=1S/C21H25NO5/c1-3-25-19(23)21(20(24)26-4-2)14-11-8-12-15-16(14)18(22-27-15)17(21)13-9-6-5-7-10-13/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3/t14-,15+,16-,17-/m0/s1
InChIKey ATHDZOJILXEWAN-YVSFHVDLSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VcBcSSnSiT
Name TRANS-ISOMER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-3-25-19(23)21(20(24)26-4-2)14-11-8-12-15-16(14)18(22-27-15)17(21)13-9-6-5-7-10-13/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3/t14-,15+,16-,17-/m0/s1
InChIKey ATHDZOJILXEWAN-YVSFHVDLSA-N
Literature Reference Author J.Y.LIU,M.C.YAN,W.W.LIN,L.Y.WANG,C.F.YAO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1215(1999)
Literature Reference DOI 10.1039/a809490j
Molecular Weight 371.433 g/mol
Solvent CDCl3
Source File Reference UWGE3399