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6-(Iodomethyl)-4-phenyl-5,6-dihydro-2H-pyran-2-one

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

6-(Iodomethyl)-4-phenyl-5,6-dihydro-2H-pyran-2-one
SpectraBase Compound ID 2SCJ81xBlXP
InChI InChI=1S/C12H11IO2/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-5,7,11H,6,8H2
InChIKey QHPYRAQPIMRDLV-UHFFFAOYSA-N
Mol Weight 314.12 g/mol
Molecular Formula C12H11IO2
Exact Mass 313.980375 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FHGZ9yNyuhi
Name 6-(Iodomethyl)-4-phenyl-5,6-dihydro-2H-pyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.980374592 u
Formula C12H11IO2
InChI InChI=1S/C12H11IO2/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-5,7,11H,6,8H2
InChIKey QHPYRAQPIMRDLV-UHFFFAOYSA-N
Molecular Weight 314.122 g/mol
SMILES C1(C=C(CC(O1)CI)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951357