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1,6-Bis(ethoxymethyl)cyclohepta-1,3,5-triene

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1,6-Bis(ethoxymethyl)cyclohepta-1,3,5-triene
SpectraBase Compound ID 7k5s4Qlztx
InChI InChI=1S/C13H20O2/c1-3-14-10-12-7-5-6-8-13(9-12)11-15-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKey QEPVLDQLWCSHFU-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J2hfVteINzs
Name 1,6-bis(Ethoxymethyl)cyclohepta-1,3,5-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-3-14-10-12-7-5-6-8-13(9-12)11-15-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKey QEPVLDQLWCSHFU-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C1(=CC=CC=C(C1)COCC)COCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893071