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3-Benzyl-4-isopropenyl-2(5H)-furanone

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

3-Benzyl-4-isopropenyl-2(5H)-furanone
SpectraBase Compound ID 9aIWozM9ZzZ
InChI InChI=1S/C14H14O2/c1-10(2)13-9-16-14(15)12(13)8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKey MIPOFHQDLOAJCM-UHFFFAOYSA-N
Mol Weight 214.26 g/mol
Molecular Formula C14H14O2
Exact Mass 214.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AppvNfg4pDM
Name 3-Benzyl-4-isopropenyl-2(5H)-furanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.099379689 u
Formula C14H14O2
InChI InChI=1S/C14H14O2/c1-10(2)13-9-16-14(15)12(13)8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKey MIPOFHQDLOAJCM-UHFFFAOYSA-N
Molecular Weight 214.264 g/mol
SMILES C1(=C(COC1=O)C(C)=C)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949203