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(8aS,3aR)-7-Methyl-1,2,3,4,5,8,8a,10a-octahydro-9,9,10,10-phenanthrenetetracarbonitrile
SpectraBase Compound ID A6HFMwohhjx
InChI InChI=1S/C19H18N4/c1-13-6-7-15-14-4-2-3-5-16(14)18(9-20,10-21)19(11-22,12-23)17(15)8-13/h6,16-17H,2-5,7-8H2,1H3/t16-,17+/m1/s1
InChIKey VESAMJWSKWGNDG-SJORKVTESA-N
Mol Weight 302.38 g/mol
Molecular Formula C19H18N4
Exact Mass 302.153147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jvz9kmh5N4S
Name (8aS,3aR)-7-Methyl-1,2,3,4,5,8,8a,10a-octahydro-9,9,10,10-phenanthrenetetracarbonitrile
Alternate Name(s) (8aS,10aR)-7-methyl-1,2,3,4,5,8,8a,10a-octahydrophenanthrene-9,9,10,10-tetracarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N4
InChI InChI=1S/C19H18N4/c1-13-6-7-15-14-4-2-3-5-16(14)18(9-20,10-21)19(11-22,12-23)17(15)8-13/h6,16-17H,2-5,7-8H2,1H3/t16-,17+/m1/s1
InChIKey VESAMJWSKWGNDG-SJORKVTESA-N
Literature Reference DOI 10.1560/8E4X-0U34-MQYD-0H20
Molecular Weight 302.381 g/mol
SMILES C1CCCC2=C3CC=C(C[C@@]3(C(C([C@]12[H])(C#N)C#N)(C#N)C#N)[H])C
SPLASH splash10-0kmi-0913000000-b128ea8890d4690b5590
Source of Spectrum TI-41-325-12
Wiley ID 1806642