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cis-5-Isopropyl-1,3,3A,4,7,7A-hexahydro-1,3-isobenzofurandione

View entire compound with spectra: 1 FTIR

cis-5-Isopropyl-1,3,3A,4,7,7A-hexahydro-1,3-isobenzofurandione
SpectraBase Compound ID LFe15t4FefL
InChI InChI=1S/C11H14O3/c1-6(2)7-3-4-8-9(5-7)11(13)14-10(8)12/h3,6,8-9H,4-5H2,1-2H3
InChIKey GOOUNJHWKVWODV-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 3khEDw9EQXv
Name cis-5-Isopropyl-1,3,3A,4,7,7A-hexahydro-1,3-isobenzofurandione
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/c1-6(2)7-3-4-8-9(5-7)11(13)14-10(8)12/h3,6,8-9H,4-5H2,1-2H3
InChIKey GOOUNJHWKVWODV-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES C1(=CCC2C(C1)C(=O)OC2=O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957477