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4-Hydroxy-3-(3-methylbenzyllamino)-2-phenylcyclobutenone

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

4-Hydroxy-3-(3-methylbenzyllamino)-2-phenylcyclobutenone
SpectraBase Compound ID LvliQMYHCFU
InChI InChI=1S/C18H17NO2/c1-12-6-5-7-13(10-12)11-19-16-15(17(20)18(16)21)14-8-3-2-4-9-14/h2-10,18-19,21H,11H2,1H3
InChIKey JBEQPADEVMLDSD-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID y3Yw4hBSHc
Name 4-Hydroxy-3-(3-methylbenzyllamino)-2-phenylcyclobutenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.125928789 u
Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c1-12-6-5-7-13(10-12)11-19-16-15(17(20)18(16)21)14-8-3-2-4-9-14/h2-10,18-19,21H,11H2,1H3
InChIKey JBEQPADEVMLDSD-UHFFFAOYSA-N
SMILES C1(=C(C2=CC=CC=C2)C(C1O)=O)NCC1=CC(C)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873417