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(4-Oxidanylidene-6-phenyl-hexyl) ethanoate

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

(4-Oxidanylidene-6-phenyl-hexyl) ethanoate
SpectraBase Compound ID 5DclAIVpSu7
InChI InChI=1S/C14H18O3/c1-12(15)17-11-5-8-14(16)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3
InChIKey GBTDBLWUUGYGRC-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ETHr8NiTgo3
Name (4-Oxidanylidene-6-phenyl-hexyl) ethanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-12(15)17-11-5-8-14(16)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3
InChIKey GBTDBLWUUGYGRC-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(=O)(OCCCC(=O)CCC=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835013