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2H-1-Benzopyran-3-carboxaldehyde, 3,4-dihydro-4-oxo-7-(phenylmethoxy)-

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

2H-1-Benzopyran-3-carboxaldehyde, 3,4-dihydro-4-oxo-7-(phenylmethoxy)-
SpectraBase Compound ID AF109zxylqd
InChI InChI=1S/C17H14O4/c18-9-13-11-21-16-8-14(6-7-15(16)17(13)19)20-10-12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKey IIAUPWUIRVLDIR-UHFFFAOYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fuj5VjqEvVG
Name 2H-1-Benzopyran-3-carboxaldehyde, 3,4-dihydro-4-oxo-7-(phenylmethoxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.089208927 u
Formula C17H14O4
InChI InChI=1S/C17H14O4/c18-9-13-11-21-16-8-14(6-7-15(16)17(13)19)20-10-12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKey IIAUPWUIRVLDIR-UHFFFAOYSA-N
SMILES C=12C(C(C=O)COC2=CC(=CC1)OCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911041