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Ethyl 2-[(3-Amino-1,4-dicyano-9,10-dihydrophenanthren-2-yl)carbonyl]benzoate
SpectraBase Compound ID 1J3hspmsWHr
InChI InChI=1S/C26H19N3O3/c1-2-32-26(31)19-10-6-5-9-18(19)25(30)23-20(13-27)17-12-11-15-7-3-4-8-16(15)22(17)21(14-28)24(23)29/h3-10H,2,11-12,29H2,1H3
InChIKey ZKSHOSHHMNMZLA-UHFFFAOYSA-N
Mol Weight 421.46 g/mol
Molecular Formula C26H19N3O3
Exact Mass 421.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoV1j5gMB8T
Name Ethyl 2-[(3-Amino-1,4-dicyano-9,10-dihydrophenanthren-2-yl)carbonyl]benzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19N3O3
InChI InChI=1S/C26H19N3O3/c1-2-32-26(31)19-10-6-5-9-18(19)25(30)23-20(13-27)17-12-11-15-7-3-4-8-16(15)22(17)21(14-28)24(23)29/h3-10H,2,11-12,29H2,1H3
InChIKey ZKSHOSHHMNMZLA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201400287
Molecular Weight 421.456 g/mol
SMILES Nc1c(C(c2c(C(=O)OCC)cccc2)=O)c(c2c(-c3c(CC2)cccc3)c1C#N)C#N
SPLASH splash10-0udi-0119800000-94dc9e5a068ec5576a42
Source of Spectrum H-98-574-2f
Synonyms Ethyl 2-(3-amino-1,4-dicyano-9,10-dihydrophenanthrene-2-carbonyl)benzoate
Wiley ID 1786339