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8A-Ethenyl-1,4,4A,5,6,8-hexahydro-2-benzopyran-3,7-dione

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8A-Ethenyl-1,4,4A,5,6,8-hexahydro-2-benzopyran-3,7-dione
SpectraBase Compound ID 56l2X6VwfKo
InChI InChI=1S/C11H14O3/c1-2-11-6-9(12)4-3-8(11)5-10(13)14-7-11/h2,8H,1,3-7H2
InChIKey OVBVDCISRFZNKZ-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6JrsSxWoJu0
Name 8A-Ethenyl-1,4,4A,5,6,8-hexahydro-2-benzopyran-3,7-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.094294308 u
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-2-11-6-9(12)4-3-8(11)5-10(13)14-7-11/h2,8H,1,3-7H2
InChIKey OVBVDCISRFZNKZ-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES C=CC12C(CC(=O)OC2)CCC(C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.989378