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

*Links on SpectraBase are not permalinks.
1,3-Cyclopentadienebutanenitrile, .alpha.-[2-(cyclopentadienyl)ethyl]-.alpha.-ethyl-
SpectraBase Compound ID 3Ou5pWYXgM9
InChI InChI=1S/C18H23N/c1-2-18(15-19,13-11-16-7-3-4-8-16)14-12-17-9-5-6-10-17/h3-7,9H,2,8,10-14H2,1H3
InChIKey HQUMOZGLNPMAAA-UHFFFAOYSA-N
Mol Weight 253.39 g/mol
Molecular Formula C18H23N
Exact Mass 253.18305 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 I0biuX7hQkR
Name 1,3-Cyclopentadienebutanenitrile, .alpha.-[2-(cyclopentadienyl)ethyl]-.alpha.-ethyl-
CAS Registry Number 81400-72-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N
InChI InChI=1S/C18H23N/c1-2-18(15-19,13-11-16-7-3-4-8-16)14-12-17-9-5-6-10-17/h3-7,9H,2,8,10-14H2,1H3
InChIKey HQUMOZGLNPMAAA-UHFFFAOYSA-N
Molecular Weight 253.389 g/mol
SMILES C(#N)C(CCC1=CC=CC1)(CCC1=CC=CC1)CC
SPLASH splash10-0udi-0090000000-ec56c3a8f2018ce422df
Source of Spectrum K-115-472-0
Synonyms 2,2-di(1,3/2,5-cyclopentadien-1-yl)butyronitrile 4-(1,3-cyclopentadien-1-yl)-2-[2-(1,3-cyclopentadien-1-yl)ethyl]-2-ethylbutanenitrile
Wiley ID 1257039