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(5aS,3aR)-7-Methyl-2,3,3a,5a,6,9-hexahydro-1H-cyclopenta[a]-naphthalene-4,4,5,5-tetracarbonitrile
SpectraBase Compound ID FUiRW0zgfn4
InChI InChI=1S/C18H16N4/c1-12-5-6-14-13-3-2-4-15(13)17(8-19,9-20)18(10-21,11-22)16(14)7-12/h5,15-16H,2-4,6-7H2,1H3/t15-,16+/m1/s1
InChIKey GCMOTVCCKCIDJP-CVEARBPZSA-N
Mol Weight 288.35 g/mol
Molecular Formula C18H16N4
Exact Mass 288.137497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XENhtQohe4
Name (5aS,3aR)-7-Methyl-2,3,3a,5a,6,9-hexahydro-1H-cyclopenta[a]-naphthalene-4,4,5,5-tetracarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4
InChI InChI=1S/C18H16N4/c1-12-5-6-14-13-3-2-4-15(13)17(8-19,9-20)18(10-21,11-22)16(14)7-12/h5,15-16H,2-4,6-7H2,1H3/t15-,16+/m1/s1
InChIKey GCMOTVCCKCIDJP-CVEARBPZSA-N
Literature Reference DOI 10.1560/8E4X-0U34-MQYD-0H20
Molecular Weight 288.354 g/mol
SMILES C1=2[C@](C(C([C@]3(CC(=CCC23)C)[H])(C#N)C#N)(C#N)C#N)(CCC1)[H]
SPLASH splash10-03dr-0980000000-86cb1542a3564177fe80
Source of Spectrum TI-41-325-10
Synonyms (3aR,5aS)-7-methyl-2,3,3a,5a,6,9-hexahydro-1H-cyclopenta[a]naphthalene-4,4,5,5-tetracarbonitrile
Wiley ID 1806640