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Propanedinitrile, [2,2-dimethyl-1-(3-nitrophenyl)propyl]ethyl-
SpectraBase Compound ID 2JpI7YLzgbh
InChI InChI=1S/C16H19N3O2/c1-5-16(10-17,11-18)14(15(2,3)4)12-7-6-8-13(9-12)19(20)21/h6-9,14H,5H2,1-4H3
InChIKey FRKWIHBPVDTDSD-UHFFFAOYSA-N
Mol Weight 285.35 g/mol
Molecular Formula C16H19N3O2
Exact Mass 285.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnRdOUcczBP
Name Propanedinitrile, [2,2-dimethyl-1-(3-nitrophenyl)propyl]ethyl-
CAS Registry Number 86096-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O2
InChI InChI=1S/C16H19N3O2/c1-5-16(10-17,11-18)14(15(2,3)4)12-7-6-8-13(9-12)19(20)21/h6-9,14H,5H2,1-4H3
InChIKey FRKWIHBPVDTDSD-UHFFFAOYSA-N
Molecular Weight 285.347 g/mol
SMILES c1(N(=O)=O)cc(C(C(C#N)(C#N)CC)C(C)(C)C)ccc1
SPLASH splash10-0a4i-9100000000-75d6b29b7d468a3f2e23
Source of Spectrum B-36-94-0
Synonyms 2-[2,2-dimethyl-1-(3-nitrophenyl)propyl]-2-ethylmalononitrile Isomer of 2-[2,2-dimethyl-1-(m-nitrophenyl)propyl]-2-ethylmalononitrile
Wiley ID 1288955