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4-(1,1-Ethylenedioxyethyl)tropolone

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4-(1,1-Ethylenedioxyethyl)tropolone
SpectraBase Compound ID 8G0W0XykQ1m
InChI InChI=1S/C11H12O4/c1-11(14-5-6-15-11)8-3-2-4-9(12)10(13)7-8/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKey MDOHUTIOBRYGDK-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DvFYQgIrsBU
Name 4-(1,1-Ethylenedioxyethyl)tropolone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-11(14-5-6-15-11)8-3-2-4-9(12)10(13)7-8/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKey MDOHUTIOBRYGDK-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES C1=CC(C(=CC(=C1)C1(C)OCCO1)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949427