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Clarkeanidine

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

Clarkeanidine
SpectraBase Compound ID 6cj33oUcsRe
InChI InChI=1S/C19H21NO4/c1-23-15-6-4-12-9-14-17-11(3-5-16(24-2)19(17)22)7-8-20(14)10-13(12)18(15)21/h3-6,14,21-22H,7-10H2,1-2H3
InChIKey VHMQRLIBVWAVSO-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 12hR5aGi66P
Name Clarkeanidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.147058156 u
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-23-15-6-4-12-9-14-17-11(3-5-16(24-2)19(17)22)7-8-20(14)10-13(12)18(15)21/h3-6,14,21-22H,7-10H2,1-2H3
InChIKey VHMQRLIBVWAVSO-UHFFFAOYSA-N
Molecular Weight 327.380 g/mol
SMILES C12N(CC3=C(C2)C=CC(OC)=C3O)CCC=2C1=C(C(OC)=CC2)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89032