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2-(3,5-di-tert-butylbenzylidene)-7-(2,5-dimethoxyacridin-9-yl)-1-oxo-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID Fz7Zd6NFHj5
InChI InChI=1S/C40H41NO3/c1-39(2,3)28-19-24(20-29(22-28)40(4,5)6)18-27-15-13-25-12-14-26(21-32(25)38(27)42)36-31-10-9-11-35(44-8)37(31)41-34-17-16-30(43-7)23-33(34)36/h9-12,14,16-23H,13,15H2,1-8H3/b27-18+
InChIKey COSKVTLIDSQBBT-OVVQPSECSA-N
Mol Weight 583.8 g/mol
Molecular Formula C40H41NO3
Exact Mass 583.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rMahdLhdrr
Name 2-(3,5-di-tert-butylbenzylidene)-7-(2,5-dimethoxyacridin-9-yl)-1-oxo-1,2,3,4-tetrahydronaphthalene
CAS Registry Number 118418-19-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H41NO3
InChI InChI=1S/C40H41NO3/c1-39(2,3)28-19-24(20-29(22-28)40(4,5)6)18-27-15-13-25-12-14-26(21-32(25)38(27)42)36-31-10-9-11-35(44-8)37(31)41-34-17-16-30(43-7)23-33(34)36/h9-12,14,16-23H,13,15H2,1-8H3/b27-18+
InChIKey COSKVTLIDSQBBT-OVVQPSECSA-N
Molecular Weight 583.772 g/mol
SMILES c12nc3c(c(c2cccc1OC)-c1cc2C(\C(=C\c4cc(C(C)(C)C)cc(c4)C(C)(C)C)CCc2cc1)=O)cc(cc3)OC
SPLASH splash10-001i-0000090000-668c81ec2a4b3f5fe815
Source of Spectrum C-111-1387-8
Synonyms (2E)-2-(3,5-ditert-butylbenzylidene)-7-(2,5-dimethoxy-9-acridinyl)-3,4-dihydro-1(2H)-naphthalenone
Wiley ID 1408775