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t-Butyl 2-[(2'-benzoyl-1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
SpectraBase Compound ID 8nMtDqwBKNU
InChI InChI=1S/C29H26N2O3/c1-28(2,3)34-27(33)24-15-9-7-14-23(24)19-29(20-30)25-16-10-8-11-21(25)17-18-31(29)26(32)22-12-5-4-6-13-22/h4-18H,19H2,1-3H3
InChIKey QQEFFVGLCQKNEV-UHFFFAOYSA-N
Mol Weight 450.54 g/mol
Molecular Formula C29H26N2O3
Exact Mass 450.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FwwQdZYfrc
Name t-Butyl 2-[(2'-benzoyl-1'-cyano-1',2'-dihydroisoquinolin-1'-yl)methyl]-benzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26N2O3
InChI InChI=1S/C29H26N2O3/c1-28(2,3)34-27(33)24-15-9-7-14-23(24)19-29(20-30)25-16-10-8-11-21(25)17-18-31(29)26(32)22-12-5-4-6-13-22/h4-18H,19H2,1-3H3
InChIKey QQEFFVGLCQKNEV-UHFFFAOYSA-N
Molecular Weight 450.538 g/mol
SMILES C1(N(C(=O)c2ccccc2)C=Cc2c1cccc2)(Cc1c(C(OC(C)(C)C)=O)cccc1)C#N
SPLASH splash10-0api-5960000000-267442d1a08b681ac6eb
Source of Spectrum AH-134-1000-4
Synonyms tert-Butyl 2-[(2-benzoyl-1-cyano-1,2-dihydro-1-isoquinolinyl)methyl]benzoate
Wiley ID 1546922