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Cannabinolic acid cyanomethylester cyanomethylether

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

Cannabinolic acid cyanomethylester cyanomethylether
SpectraBase Compound ID 3nBwWondL6M
InChI InChI=1S/C26H28N2O4/c1-5-6-7-8-18-16-21-23(19-15-17(2)9-10-20(19)26(3,4)32-21)24(30-13-11-27)22(18)25(29)31-14-12-28/h9-10,15-16H,5-8,13-14H2,1-4H3
InChIKey IPKQXQHMRBQWHP-UHFFFAOYSA-N
Mol Weight 432.52 g/mol
Molecular Formula C26H28N2O4
Exact Mass 432.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlzRNnbkhAm
Name Cannabinolic acid cyanomethylester cyanomethylether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.204907386 u
Formula C26H28N2O4
InChI InChI=1S/C26H28N2O4/c1-5-6-7-8-18-16-21-23(19-15-17(2)9-10-20(19)26(3,4)32-21)24(30-13-11-27)22(18)25(29)31-14-12-28/h9-10,15-16H,5-8,13-14H2,1-4H3
InChIKey IPKQXQHMRBQWHP-UHFFFAOYSA-N
Molecular Weight 432.520 g/mol
SMILES C1=2C3=C(OC(C2C=CC(=C1)C)(C)C)C=C(C(=C3OCC#N)C(OCC#N)=O)CCCCC