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1(3H)-Isobenzofuranone, 6-(benzoyloxy)-3a,6-dihydro-7-phenyl-
SpectraBase Compound ID J2z0bRncJLq
InChI InChI=1S/C21H16O4/c22-20(15-9-5-2-6-10-15)25-17-12-11-16-13-24-21(23)19(16)18(17)14-7-3-1-4-8-14/h1-12,16-17H,13H2
InChIKey VJPYHNYCUJAMLC-UHFFFAOYSA-N
Mol Weight 332.36 g/mol
Molecular Formula C21H16O4
Exact Mass 332.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GL2jeKelggG
Name 1(3H)-Isobenzofuranone, 6-(benzoyloxy)-3a,6-dihydro-7-phenyl-
CAS Registry Number 114133-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O4
InChI InChI=1S/C21H16O4/c22-20(15-9-5-2-6-10-15)25-17-12-11-16-13-24-21(23)19(16)18(17)14-7-3-1-4-8-14/h1-12,16-17H,13H2
InChIKey VJPYHNYCUJAMLC-UHFFFAOYSA-N
Molecular Weight 332.355 g/mol
SMILES C12=C(C(OC(=O)c3ccccc3)C=CC1COC2=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-8c688ce7fc2622642cd1
Source of Spectrum J-53-1870-26
Synonyms 3-Oxo-4-phenyl-1,3,5,7a-tetrahydro-2-benzofuran-5-yl benzoate 5-(benzoyloxy)-1,3,5,7-tetrahydro-4-phenylisobenzofuran-2-one
Wiley ID 1329661