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Pachysiphine

View entire compound with spectra: 2 NMR

Pachysiphine
SpectraBase Compound ID 2XXY5awaEyv
InChI InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19+,20-,21+/m1/s1
InChIKey AUVZFRDLRJQTQF-VYLCYAPGSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAOXO87zo6z
Name PACHYSIPHINE
CAS Registry Number 2447-58-7
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19+,20-,21+/m1/s1
InChIKey AUVZFRDLRJQTQF-VYLCYAPGSA-N
Literature Reference Author Y.ROLLAND,N.KUNESCH,J.POISSON,E.W.HAGAMAN,F.M.SCHELL,E.WENKE RT
Literature Reference Citation J.ORG.CHEM.,41,3270(1976)
Literature Reference DOI 10.1021/jo00882a013
Molecular Weight 352.433 g/mol
Solvent CDCl3
Source File Reference UWRK2499