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3-[2'-Phenylethylidene]-4-(ethoxycarbonyl)-5-methyl-2,3-dihydrofuran
SpectraBase Compound ID HTj8HCEMi2l
InChI InChI=1S/C16H18O3/c1-3-18-16(17)15-12(2)19-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3/b14-10-
InChIKey GUSUFZSDWZDYFW-UVTDQMKNSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9e9PM4N8jcA
Name 3-[2'-Phenylethylidene]-4-(ethoxycarbonyl)-5-methyl-2,3-dihydrofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.125594437 u
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-3-18-16(17)15-12(2)19-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3/b14-10-
InChIKey GUSUFZSDWZDYFW-UVTDQMKNSA-N
Molecular Weight 258.317 g/mol
SMILES C=1(\C(=C/CC=2C=CC=CC2)COC1C)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957374