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Clocinizine in kbr

View entire compound with spectra: 1 NMR, and 1 Raman

Clocinizine in kbr
SpectraBase Compound ID FoJJqHgas6h
InChI InChI=1S/C26H27ClN2/c27-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22/h1-16,26H,17-21H2/b10-7+
InChIKey ZSQANMZWGKYDER-JXMROGBWSA-N
Mol Weight 402.97 g/mol
Molecular Formula C26H27ClN2
Exact Mass 402.186277 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3Sio9VXddzq
Name Clocinizine in kbr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.186276577 u
Formula C26H27ClN2
InChI InChI=1S/C26H27ClN2/c27-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22/h1-16,26H,17-21H2/b10-7+
InChIKey ZSQANMZWGKYDER-JXMROGBWSA-N
Molecular Weight 402.969 g/mol
SMILES C=1C=CC=C(C1)C(C=1C=CC(=CC1)Cl)N1CCN(C\C=C\C=2C=CC=CC2)CC1
Spectrum/Structure Validation Score (Raman) 0.89709