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(4A.alpha.,8A.beta.,9.beta.,9A.beta.,10.alpha.,10A.alpha.)-1,4,4A,5,8,8A,9,9A,10,10A-Decahydro-9,10-bis(cyanomethyl)anthracene

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

(4A.alpha.,8A.beta.,9.beta.,9A.beta.,10.alpha.,10A.alpha.)-1,4,4A,5,8,8A,9,9A,10,10A-Decahydro-9,10-bis(cyanomethyl)anthracene
SpectraBase Compound ID DPFYQavhYnW
InChI InChI=1S/C18H22N2/c19-11-9-17-13-5-1-2-6-14(13)18(10-12-20)16-8-4-3-7-15(16)17/h1-4,13-18H,5-10H2/t13-,14-,15+,16+,17+,18+
InChIKey OTLHOBGGTXXZAN-ABOUSTGRSA-N
Mol Weight 266.39 g/mol
Molecular Formula C18H22N2
Exact Mass 266.178299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7THQfnuBOU8
Name (4A.alpha.,8A.beta.,9.beta.,9A.beta.,10.alpha.,10A.alpha.)-1,4,4A,5,8,8A,9,9A,10,10A-Decahydro-9,10-bis(cyanomethyl)anthracene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.178298716 u
Formula C18H22N2
InChI InChI=1S/C18H22N2/c19-11-9-17-13-5-1-2-6-14(13)18(10-12-20)16-8-4-3-7-15(16)17/h1-4,13-18H,5-10H2/t13-,14-,15+,16+,17+,18+
InChIKey OTLHOBGGTXXZAN-ABOUSTGRSA-N
Molecular Weight 266.388 g/mol
SMILES [C@@]12([C@]([C@](CC#N)([C@@]3([C@@]([C@]2(CC#N)[H])(CC=CC3)[H])[H])[H])(CC=CC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956021