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Cetirizine-m (amino-) ac P650

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

Cetirizine-m (amino-) ac P650
SpectraBase Compound ID 1jlmhNccGsb
InChI InChI=1S/C15H14ClNO/c1-11(18)17-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3,(H,17,18)
InChIKey DACZDACZDBBEEH-UHFFFAOYSA-N
Mol Weight 259.74 g/mol
Molecular Formula C15H14ClNO
Exact Mass 259.076392 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ihoI6KPGV7
Name Cetirizine-m (amino-) ac P650
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.076391774 u
Formula C15H14ClNO
InChI InChI=1S/C15H14ClNO/c1-11(18)17-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3,(H,17,18)
InChIKey DACZDACZDBBEEH-UHFFFAOYSA-N
Molecular Weight 259.736 g/mol
SMILES C(NC(=O)C)(C1=CC=C(Cl)C=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926204