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1(3H)-Isobenzofuranone, 3-(1,1-dimethylethyl)-3-phenyl-
SpectraBase Compound ID 1CC5gMGzzcc
InChI InChI=1S/C18H18O2/c1-17(2,3)18(13-9-5-4-6-10-13)15-12-8-7-11-14(15)16(19)20-18/h4-12H,1-3H3
InChIKey LFLQJUHGCGSCOT-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4U5RLBDZhMc
Name 1(3H)-Isobenzofuranone, 3-(1,1-dimethylethyl)-3-phenyl-
Alternate Name(s) 3-t-butyl-3-phenylphthalide 3-tert-Butyl-3-phenyl-2-benzofuran-1(3H)-one 3-tert-Butyl-3-phenylphthalide
CAS Registry Number 73831-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-17(2,3)18(13-9-5-4-6-10-13)15-12-8-7-11-14(15)16(19)20-18/h4-12H,1-3H3
InChIKey LFLQJUHGCGSCOT-UHFFFAOYSA-N
Molecular Weight 266.340 g/mol
SMILES C1(OC(=O)c2c1cccc2)(C(C)(C)C)c1ccccc1
SPLASH splash10-0ab9-2970000000-292a72a8ad7e3baa60cb
Source of Spectrum SB-33-740-0
Wiley ID 1270600