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Benzoic acid, 4-[(1,2,3,9,10,10a-hexahydro-3-oxo-2-phenanthrenyl)methyl]-, methyl ester
SpectraBase Compound ID 1TSzMGGTxcD
InChI InChI=1S/C23H22O3/c1-26-23(25)17-8-6-15(7-9-17)12-19-13-18-11-10-16-4-2-3-5-20(16)21(18)14-22(19)24/h2-9,14,18-19H,10-13H2,1H3
InChIKey HWGQZYBEJWBXEG-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C23H22O3
Exact Mass 346.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MV2sx6miVE
Name Benzoic acid, 4-[(1,2,3,9,10,10a-hexahydro-3-oxo-2-phenanthrenyl)methyl]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O3
InChI InChI=1S/C23H22O3/c1-26-23(25)17-8-6-15(7-9-17)12-19-13-18-11-10-16-4-2-3-5-20(16)21(18)14-22(19)24/h2-9,14,18-19H,10-13H2,1H3
InChIKey HWGQZYBEJWBXEG-UHFFFAOYSA-N
Molecular Weight 346.426 g/mol
SMILES COC(=O)c1ccc(CC2CC3CCc4ccccc4C3=CC2=O)cc1
SPLASH splash10-0002-1902000000-2877471eeaf667c9b5e2
Source of Spectrum JX-2015-3-971
Synonyms Methyl 4-((3-oxo-1,2,3,9,10,10a-hexahydrophenanthren-2-yl)methyl)benzoate Methyl 4-[(3-oxo-1,2,3,9,10,10a-hexahydrophenanthren-2-yl)methyl]benzoate 4-[(3-oxo-2,9,10,10a-tetrahydro-1H-phenanthren-2-yl)methyl]benzoic acid methyl ester Methyl 4-[(3-oxo-2,9,10,10a-tetrahydro-1H-phenanthren-2-yl)methyl]benzoate Methyl 4-[(3-oxidanylidene-2,9,10,10a-tetrahydro-1H-phenanthren-2-yl)methyl]benzoate
Wiley ID 1724496