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Ethyl 2-[(2'-benzoyl-1',2',3',4'-tetrahydro-1'-formyl-1'-isoquinolyl)methyl]benzoate
SpectraBase Compound ID EYs7JofLCm8
InChI InChI=1S/C27H25NO4/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-29)24-15-9-7-10-20(24)16-17-28(27)25(30)21-11-4-3-5-12-21/h3-15,19H,2,16-18H2,1H3
InChIKey KDAIULXDKQVGHN-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C27H25NO4
Exact Mass 427.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g4eD6Lqur1
Name Ethyl 2-[(2'-benzoyl-1',2',3',4'-tetrahydro-1'-formyl-1'-isoquinolyl)methyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NO4
InChI InChI=1S/C27H25NO4/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-29)24-15-9-7-10-20(24)16-17-28(27)25(30)21-11-4-3-5-12-21/h3-15,19H,2,16-18H2,1H3
InChIKey KDAIULXDKQVGHN-UHFFFAOYSA-N
Molecular Weight 427.500 g/mol
SMILES C1(N(C(=O)c2ccccc2)CCc2c1cccc2)(Cc1c(C(=O)OCC)cccc1)C=O
SPLASH splash10-0a6r-0900700000-b651f8df0e72f75e3d5d
Source of Spectrum AH-131-78-4
Synonyms Ethyl 2-[(2-benzoyl-1-formyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]benzoate
Wiley ID 770870