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4-Isobenzofuranpropanoic acid, 1,3,3a,4,5,7a-hexahydro-5,6-dimethyl-.beta.,3-dioxo-.alpha.-phenyl-, 1,1-dimethylethyl ester

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4-Isobenzofuranpropanoic acid, 1,3,3a,4,5,7a-hexahydro-5,6-dimethyl-.beta.,3-dioxo-.alpha.-phenyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID GD8eZ3jM0Fh
InChI InChI=1S/C23H28O5/c1-13-11-16-12-27-21(25)18(16)17(14(13)2)20(24)19(15-9-7-6-8-10-15)22(26)28-23(3,4)5/h6-11,14,16-19H,12H2,1-5H3
InChIKey SSCRXWLQKJAGNI-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hPWUSDcHqz
Name 4-Isobenzofuranpropanoic acid, 1,3,3a,4,5,7a-hexahydro-5,6-dimethyl-.beta.,3-dioxo-.alpha.-phenyl-, 1,1-dimethylethyl ester
CAS Registry Number 69804-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-13-11-16-12-27-21(25)18(16)17(14(13)2)20(24)19(15-9-7-6-8-10-15)22(26)28-23(3,4)5/h6-11,14,16-19H,12H2,1-5H3
InChIKey SSCRXWLQKJAGNI-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C(C1C2C(COC2=O)C=C(C1C)C)(C(C(OC(C)(C)C)=O)c1ccccc1)=O
SPLASH splash10-0002-9125000000-e45797440f0719d0738b
Source of Spectrum KC-1978-1506-0
Synonyms 3.alpha.,4.alpha.-(furan-2'-one-4',3'-diyl)-5.alpha.-(2''-(tert-butyloxycarbonyl)-2''-phenylacetyl)-1,6.alpha.-dimethylcyclohex-1-ene 3.alpha.,4.alpha.-(furan-2'-one-4',3'-diyl)-5.alpha.-(2''-(tert-butyloxycarbonyl)-2''-phenylacetyl)-1,6.alpha.-dimethylcyclohex-1-ene tert-Butyl 3-(5,6-dimethyl-3-oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-yl)-3-oxo-2-phenylpropanoate
Wiley ID 1361735