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Ethyl 2-[(6-Amino-4,7-dicyano-2,3-dihydro-1H-inden-5-yl)carbonyl]benzoate
SpectraBase Compound ID BvKMjHzVLfo
InChI InChI=1S/C21H17N3O3/c1-2-27-21(26)15-7-4-3-6-14(15)20(25)18-16(10-22)12-8-5-9-13(12)17(11-23)19(18)24/h3-4,6-7H,2,5,8-9,24H2,1H3
InChIKey ZPSQLAPTDZPNKN-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C21H17N3O3
Exact Mass 359.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf3EZmuixhf
Name Ethyl 2-[(6-Amino-4,7-dicyano-2,3-dihydro-1H-inden-5-yl)carbonyl]benzoate
Alternate Name(s) Ethyl 2-(6-amino-4,7-dicyano-2,3-dihydro-1H-indene-5-carbonyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O3
InChI InChI=1S/C21H17N3O3/c1-2-27-21(26)15-7-4-3-6-14(15)20(25)18-16(10-22)12-8-5-9-13(12)17(11-23)19(18)24/h3-4,6-7H,2,5,8-9,24H2,1H3
InChIKey ZPSQLAPTDZPNKN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201400287
Molecular Weight 359.385 g/mol
SMILES Nc1c(c(C#N)c2c(c1C#N)CCC2)C(=O)c1c(C(=O)OCC)cccc1
SPLASH splash10-06tk-3976000000-8d80a88b5aa44337398d
Source of Spectrum H-98-573-2d
Wiley ID 1786337