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Italicene
SpectraBase Compound ID FOgV5Q6mVje
InChI InChI=1S/C15H24/c1-11-7-9-15-8-5-6-12(15)13(2,3)14(15,4)10-11/h10,12H,5-9H2,1-4H3/t12-,14-,15+/m1/s1
InChIKey CHYBOPWMALTNDW-YUELXQCFSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYfzxpf3LwI
Name Italicene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24
InChI InChI=1S/C15H24/c1-11-7-9-15-8-5-6-12(15)13(2,3)14(15,4)10-11/h10,12H,5-9H2,1-4H3/t12-,14-,15+/m1/s1
InChIKey CHYBOPWMALTNDW-YUELXQCFSA-N
Molecular Weight 204.357 g/mol
SMILES [C@@]12([C@]3(CCC(=C2)C)CCC[C@@]3(C1(C)C)[H])C
SPLASH splash10-06dl-9800000000-fb40ae510cb47fdfb97f
Source of Spectrum LQ-1992-2668-0
Synonyms (3aR,4aR,8aS)-4,4,4a,6-tetramethyl-1,2,3,3a,4,4a,7,8-octahydrocyclopenta[2,3]cyclobuta[1,2-a]benzene
Wiley ID 1202949