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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 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bwV3pVRdO5
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
CAS Registry Number 56180-72-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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]
SPLASH splash10-014l-3290000000-fcfc9f49b3d6ffe86af2
Source of Spectrum K-124-2527-13
Synonyms [(4aR,8aS,9aR,10aS)-10-(cyanomethyl)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9-anthracenyl]acetonitrile
Wiley ID 1270731