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4H-1-Benzopyran-4-one, 2-[4-(dimethylamino)phenyl]-2,3-

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

4H-1-Benzopyran-4-one, 2-[4-(dimethylamino)phenyl]-2,3-
SpectraBase Compound ID 3isS09pTmcP
InChI InChI=1S/C17H17NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-10,17H,11H2,1-2H3
InChIKey MDSBXFQOYRGPIW-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C17H17NO2
Exact Mass 267.125929 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CEv5SKlTcpA
Name 4H-1-Benzopyran-4-one, 2-[4-(dimethylamino)phenyl]-2,3-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.125928789 u
Formula C17H17NO2
InChI InChI=1S/C17H17NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-10,17H,11H2,1-2H3
InChIKey MDSBXFQOYRGPIW-UHFFFAOYSA-N
SMILES C1C(OC=2C=CC=CC2C1=O)C1=CC=C(C=C1)N(C)C
Spectrum/Structure Validation Score (Raman) 0.937795