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3-((E)-1-Ethoxy-buta-1,3-dienyl)-1H-isochromene

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

3-((E)-1-Ethoxy-buta-1,3-dienyl)-1H-isochromene
SpectraBase Compound ID CI2NWGIVrVt
InChI InChI=1S/C15H16O2/c1-3-7-14(16-4-2)15-10-12-8-5-6-9-13(12)11-17-15/h3,5-10H,1,4,11H2,2H3/b14-7+
InChIKey GUUQDYRFFHXCFA-VGOFMYFVSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AnXfzsZDEQN
Name 3-((E)-1-Ethoxy-buta-1,3-dienyl)-1H-isochromene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.115029753 u
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-3-7-14(16-4-2)15-10-12-8-5-6-9-13(12)11-17-15/h3,5-10H,1,4,11H2,2H3/b14-7+
InChIKey GUUQDYRFFHXCFA-VGOFMYFVSA-N
Molecular Weight 228.291 g/mol
SMILES C1(=CC=2C=CC=CC2CO1)\C(=C/C=C)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812989