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

*Links on SpectraBase are not permalinks.
1-Phenanthrenepropanenitrile, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-, [1S-(1.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-
SpectraBase Compound ID JYNHZERIYH
InChI InChI=1S/C22H35N/c1-16-9-10-19-21(4,17(16)8-6-15-23)14-11-18-20(2,3)12-7-13-22(18,19)5/h9,17-19H,6-8,10-14H2,1-5H3/t17-,18-,19-,21-,22-/m0/s1
InChIKey CODAJVZQNDUZGW-PAPPXSOASA-N
Mol Weight 313.5 g/mol
Molecular Formula C22H35N
Exact Mass 313.27695 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 ItoD71g0KHQ
Name 1-Phenanthrenepropanenitrile, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-, [1S-(1.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-
CAS Registry Number 121452-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35N
InChI InChI=1S/C22H35N/c1-16-9-10-19-21(4,17(16)8-6-15-23)14-11-18-20(2,3)12-7-13-22(18,19)5/h9,17-19H,6-8,10-14H2,1-5H3/t17-,18-,19-,21-,22-/m0/s1
InChIKey CODAJVZQNDUZGW-PAPPXSOASA-N
Molecular Weight 313.529 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CCC#N)[H])C)[H])C
SPLASH splash10-0006-0921000000-78200177a78283bf2d2a
Source of Spectrum F-44-2520-31
Synonyms 3-[(14alpha)-8,13-dimethylpodocarp-12-en-14-yl]propanenitrile ent-(14.alpha. H)-iso-copal-12-en-15-yl-acetonitrile[1S-(1.alpha.,4a.alpha.,4b,beta.,8a.alpha.,10a.beta.)]- 1,4,4a,4b,5,6,7,8,8a.9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-1-phenanthrene-propanenitrile ent-(14.alpha. h)-isocopal-12-en-15-ylacetonitrile
Wiley ID 1314507