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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xPZdegvuWS
Name 5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS Registry Number 6337-27-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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)C2C(CC=C(C2)c2ccccc2)C(O1)=O
SPLASH splash10-0pdi-5920000000-a160631fcd59c3df72c4
Synonyms 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-phenyl- 5-Phenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione 5-Phenyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone
Wiley ID 1501915