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

*Links on SpectraBase are not permalinks.

Trans-2-benzoylspiro[2.11]tetradecane-1-carbonitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Trans-2-benzoylspiro[2.11]tetradecane-1-carbonitrile
SpectraBase Compound ID BdzlaGQtkdm
InChI InChI=1S/C22H29NO/c23-17-19-20(21(24)18-13-9-8-10-14-18)22(19)15-11-6-4-2-1-3-5-7-12-16-22/h8-10,13-14,19-20H,1-7,11-12,15-16H2/t19-,20+/m0/s1
InChIKey GQVDDAAAKKEKAV-VQTJNVASSA-N
Mol Weight 323.48 g/mol
Molecular Formula C22H29NO
Exact Mass 323.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Gp74yH2fO3d
Name Trans-2-benzoylspiro[2.11]tetradecane-1-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.224914557 u
Formula C22H29NO
InChI InChI=1S/C22H29NO/c23-17-19-20(21(24)18-13-9-8-10-14-18)22(19)15-11-6-4-2-1-3-5-7-12-16-22/h8-10,13-14,19-20H,1-7,11-12,15-16H2/t19-,20+/m0/s1
InChIKey GQVDDAAAKKEKAV-VQTJNVASSA-N
Molecular Weight 323.480 g/mol
SMILES C12([C@@](C(=O)C3=CC=CC=C3)([C@@]1(C#N)[H])[H])CCCCCCCCCCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82711