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3-[(E)-2-phenylethenyl]-1-benzopyran-4-one

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

3-[(E)-2-phenylethenyl]-1-benzopyran-4-one
SpectraBase Compound ID ItvsWYwI6GP
InChI InChI=1S/C17H12O2/c18-17-14(11-10-13-6-2-1-3-7-13)12-19-16-9-5-4-8-15(16)17/h1-12H/b11-10+
InChIKey OJOZCFQKBIPBPF-ZHACJKMWSA-N
Mol Weight 248.28 g/mol
Molecular Formula C17H12O2
Exact Mass 248.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E1MYZTROA5R
Name 3-[(E)-2-Phenylethenyl]-1-benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.083729624 u
Formula C17H12O2
InChI InChI=1S/C17H12O2/c18-17-14(11-10-13-6-2-1-3-7-13)12-19-16-9-5-4-8-15(16)17/h1-12H/b11-10+
InChIKey OJOZCFQKBIPBPF-ZHACJKMWSA-N
Molecular Weight 248.281 g/mol
SMILES C1(C(=COC2=C1C=CC=C2)\C=C\C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978816