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4-Chloro-7-(dimethylamino)-3-coumarincarbaldehyde

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

4-Chloro-7-(dimethylamino)-3-coumarincarbaldehyde
SpectraBase Compound ID 6FV4bv2TiiS
InChI InChI=1S/C12H10ClNO3/c1-14(2)7-3-4-8-10(5-7)17-12(16)9(6-15)11(8)13/h3-6H,1-2H3
InChIKey ZEOJAEMMKJZLKE-UHFFFAOYSA-N
Mol Weight 251.67 g/mol
Molecular Formula C12H10ClNO3
Exact Mass 251.034921 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Iw27Lv6qWyL
Name 4-Chloro-7-(dimethylamino)-3-coumarincarbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.034920883 u
Formula C12H10ClNO3
InChI InChI=1S/C12H10ClNO3/c1-14(2)7-3-4-8-10(5-7)17-12(16)9(6-15)11(8)13/h3-6H,1-2H3
InChIKey ZEOJAEMMKJZLKE-UHFFFAOYSA-N
Molecular Weight 251.669 g/mol
SMILES C1(OC=2C=C(C=CC2C(=C1C=O)Cl)N(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935924