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2-Methyl-3-phenyl-benzo-1,4-dioxin

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

2-Methyl-3-phenyl-benzo-1,4-dioxin
SpectraBase Compound ID 1aHS8ncjCTb
InChI InChI=1S/C15H12O2/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10H,1H3
InChIKey OHMALYTYPBNUGI-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C15H12O2
Exact Mass 224.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HOVT5mHElMb
Name 2-Methyl-3-phenyl-benzo-1,4-dioxin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.083729624 u
Formula C15H12O2
InChI InChI=1S/C15H12O2/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10H,1H3
InChIKey OHMALYTYPBNUGI-UHFFFAOYSA-N
Molecular Weight 224.259 g/mol
SMILES C1=CC=C2C(=C1)OC(=C(O2)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947884