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Calycanthine

View entire compound with spectra: 2 NMR, and 1 FTIR

Calycanthine
SpectraBase Compound ID EfraHpmQoMo
InChI InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/s2
InChIKey XSYCDVWYEVUDKQ-RACYZHBKSA-N
Mol Weight 346.48 g/mol
Molecular Formula C22H26N4
Exact Mass 346.215747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nRW0yrvocK
Name CALYCANTHINE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N4
InChI InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/s2
InChIKey XSYCDVWYEVUDKQ-RACYZHBKSA-N
Melting Point 247-249C
Molecular Weight 346.48
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20