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3-(3-(4-Chlorophenyl)acryloyl)-2H-chromen-2-one

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

3-(3-(4-Chlorophenyl)acryloyl)-2H-chromen-2-one
SpectraBase Compound ID CtEy2c5blLw
InChI InChI=1S/C18H11ClO3/c19-14-8-5-12(6-9-14)7-10-16(20)15-11-13-3-1-2-4-17(13)22-18(15)21/h1-11H/b10-7+
InChIKey AQJMKKGIANSSEB-JXMROGBWSA-N
Mol Weight 310.74 g/mol
Molecular Formula C18H11ClO3
Exact Mass 310.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KWwh8if0EdZ
Name 3-(3-(4-Chlorophenyl)acryloyl)-2H-chromen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.039671911 u
Formula C18H11ClO3
InChI InChI=1S/C18H11ClO3/c19-14-8-5-12(6-9-14)7-10-16(20)15-11-13-3-1-2-4-17(13)22-18(15)21/h1-11H/b10-7+
InChIKey AQJMKKGIANSSEB-JXMROGBWSA-N
Molecular Weight 310.736 g/mol
SMILES C=1(C(OC2=C(C1)C=CC=C2)=O)C(\C=C\C1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827142