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5-(2-Methoxyphenyl)-1,3-benzodioxole

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

5-(2-Methoxyphenyl)-1,3-benzodioxole
SpectraBase Compound ID o4c8i1lkO4
InChI InChI=1S/C14H12O3/c1-15-12-5-3-2-4-11(12)10-6-7-13-14(8-10)17-9-16-13/h2-8H,9H2,1H3
InChIKey RJMFRXYVALAUEG-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Anng1fFeAZI
Name 5-(2-Methoxyphenyl)-1,3-benzodioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.078644243 u
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-15-12-5-3-2-4-11(12)10-6-7-13-14(8-10)17-9-16-13/h2-8H,9H2,1H3
InChIKey RJMFRXYVALAUEG-UHFFFAOYSA-N
Molecular Weight 228.247 g/mol
SMILES C1OC=2C(O1)=CC(=CC2)C=1C(=CC=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940784