For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-Indene-3-butanenitrile, .alpha.-[2-(1,3-cyclopentadien-1-yl)ethyl]-.alpha.-ethyl-
SpectraBase Compound ID FEidFwSGwXb
InChI InChI=1S/C22H25N/c1-2-22(17-23,15-13-18-7-3-4-8-18)16-14-20-12-11-19-9-5-6-10-21(19)20/h3-7,9-10,12H,2,8,11,13-16H2,1H3
InChIKey CNFXORAKLQHVNE-UHFFFAOYSA-N
Mol Weight 303.45 g/mol
Molecular Formula C22H25N
Exact Mass 303.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HohaEj2zlZu
Name 1H-Indene-3-butanenitrile, .alpha.-[2-(1,3-cyclopentadien-1-yl)ethyl]-.alpha.-ethyl-
CAS Registry Number 81378-20-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N
InChI InChI=1S/C22H25N/c1-2-22(17-23,15-13-18-7-3-4-8-18)16-14-20-12-11-19-9-5-6-10-21(19)20/h3-7,9-10,12H,2,8,11,13-16H2,1H3
InChIKey CNFXORAKLQHVNE-UHFFFAOYSA-N
Molecular Weight 303.449 g/mol
SMILES C1(=CCc2c1cccc2)CCC(C#N)(CCC1=CC=CC1)CC
SPLASH splash10-0f6x-0907000000-b640181ca0de4924c984
Source of Spectrum K-115-473-0
Synonyms 4-(1,3-cyclopentadien-1-yl)-2-ethyl-2-[2-(1H-inden-3-yl)ethyl]butanenitrile 4-(1,3/2,5-cyclopentadien-1-yl)-2-ethyl-2-[2-(3-indenyl)ethyl]butyronitrile
Wiley ID 1305872