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Ethyl 1-oxo-7-pentyl-4-phenyl-1,3-dihydroisobenzofuran-5-carboxylate
SpectraBase Compound ID 3RFVdUS11xP
InChI InChI=1S/C22H24O4/c1-3-5-7-12-16-13-17(21(23)25-4-2)19(15-10-8-6-9-11-15)18-14-26-22(24)20(16)18/h6,8-11,13H,3-5,7,12,14H2,1-2H3
InChIKey FLBVWNFLEJUGMA-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2F6EzCzLSi
Name Ethyl 1-oxo-7-pentyl-4-phenyl-1,3-dihydroisobenzofuran-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-3-5-7-12-16-13-17(21(23)25-4-2)19(15-10-8-6-9-11-15)18-14-26-22(24)20(16)18/h6,8-11,13H,3-5,7,12,14H2,1-2H3
InChIKey FLBVWNFLEJUGMA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200572n
Molecular Weight 352.430 g/mol
SMILES c1(CCCCC)cc(c(-c2ccccc2)c2c1C(OC2)=O)C(=O)OCC
SPLASH splash10-014i-0792000000-fa7729e510adacb24872
Source of Spectrum J-76-4759/SM4-3kb_b
Synonyms 1-Oxo-7-pentyl-4-phenyl-3H-isobenzofuran-5-carboxylic acid ethyl ester Ethyl 1-oxo-7-pentyl-4-phenyl-3H-2-benzofuran-5-carboxylate Ethyl 1-oxo-7-pentyl-4-phenyl-3H-isobenzofuran-5-carboxylate Ethyl 1-oxidanylidene-7-pentyl-4-phenyl-3H-2-benzofuran-5-carboxylate
Wiley ID 1755596