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1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-phenyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-phenyl-
SpectraBase Compound ID KCjgzRlNaC5
InChI InChI=1S/C14H12O3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2
InChIKey JKYWPOLMZPJQML-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID sJLQDshkfJ
Name 1,3-Isobenzofurandione, 3A,4,7,7A-tetrahydro-5-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.078644243 u
Formula C14H12O3
InChI InChI=1S/C14H12O3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2
InChIKey JKYWPOLMZPJQML-UHFFFAOYSA-N
Molecular Weight 228.247 g/mol
SMILES C1(=O)C2CC=C(C3=CC=CC=C3)CC2C(O1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912029