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4-(Chloromethyl)-3-phenyl-1H-pyrrol-2(5H)-one

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

4-(Chloromethyl)-3-phenyl-1H-pyrrol-2(5H)-one
SpectraBase Compound ID 4O8DbDQ9GLK
InChI InChI=1S/C11H10ClNO/c12-6-9-7-13-11(14)10(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKey MXQXHWMCHRVTLN-UHFFFAOYSA-N
Mol Weight 207.66 g/mol
Molecular Formula C11H10ClNO
Exact Mass 207.045092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LhDnTpOShcl
Name 4-(Chloromethyl)-3-phenyl-1H-pyrrol-2(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.045091645 u
Formula C11H10ClNO
InChI InChI=1S/C11H10ClNO/c12-6-9-7-13-11(14)10(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKey MXQXHWMCHRVTLN-UHFFFAOYSA-N
Molecular Weight 207.660 g/mol
SMILES C=1(C(NCC1CCl)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925175