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1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-

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

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-
SpectraBase Compound ID CmpMVGvXq4Q
InChI InChI=1S/C11H14O3/c1-6-4-5-11(2,3)8-7(6)9(12)14-10(8)13/h4-8H,1-3H3
InChIKey YSSBNDQFAJTNAL-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 LtgfjGaMBdC
Name 1,3-Isobenzofurandione, 3A,4,7,7A-tetrahydro-4,4,7-trimethyl-
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/c1-6-4-5-11(2,3)8-7(6)9(12)14-10(8)13/h4-8H,1-3H3
InChIKey YSSBNDQFAJTNAL-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES C1(=O)C2C(C(C)(C)C=CC2C)C(O1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971156