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2-(2,2-dimethylpropylidene)-5-[(4-nitrophenyl)methylene]cyclopentanone
SpectraBase Compound ID H79gjm5XtG2
InChI InChI=1S/C17H19NO3/c1-17(2,3)11-14-7-6-13(16(14)19)10-12-4-8-15(9-5-12)18(20)21/h4-5,8-11H,6-7H2,1-3H3/b13-10+,14-11+
InChIKey DLOOUKBDKCDHOI-IFQMDVHZSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97Fk3ucxv5v
Name 2-(2,2-dimethylpropylidene)-5-[(4-nitrophenyl)methylene]cyclopentanone
Alternate Name(s) (2E,5E)-2-(2,2-dimethylpropylidene)-5-(4-nitrobenzylidene)cyclopentanone
CAS Registry Number 106115-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-17(2,3)11-14-7-6-13(16(14)19)10-12-4-8-15(9-5-12)18(20)21/h4-5,8-11H,6-7H2,1-3H3/b13-10+,14-11+
InChIKey DLOOUKBDKCDHOI-IFQMDVHZSA-N
Molecular Weight 285.343 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\2C(\C(=C\C(C)(C)C)CC2)=O)cc1
SPLASH splash10-00ri-0290000000-c7a3b011406129ebd99b
Source of Spectrum K-120-390-4
Wiley ID 1289051