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(2R,5S,6R,9S)-Tetracyclo[9.3.1.1(2,5).1(6,9)]heptadeca-1(15),3,7,11,13-pentaene
SpectraBase Compound ID C1YRXnjoyrH
InChI InChI=1S/C17H18/c1-2-12-8-13-4-5-15(10-13)17-7-6-16(11-17)14(3-1)9-12/h1-7,9,13,15-17H,8,10-11H2/t13-,15-,16-,17+/m0/s1
InChIKey WVVRJODWVNBKTN-QSPRXWTASA-N
Mol Weight 222.33 g/mol
Molecular Formula C17H18
Exact Mass 222.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DFKIuAN3Lp
Name (2R,5S,6R,9S)-Tetracyclo[9.3.1.1(2,5).1(6,9)]heptadeca-1(15),3,7,11,13-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18
InChI InChI=1S/C17H18/c1-2-12-8-13-4-5-15(10-13)17-7-6-16(11-17)14(3-1)9-12/h1-7,9,13,15-17H,8,10-11H2/t13-,15-,16-,17+/m0/s1
InChIKey WVVRJODWVNBKTN-QSPRXWTASA-N
Molecular Weight 222.331 g/mol
SMILES C1=C[C@]2([C@]3(C=C[C@@](C3)([H])Cc3cc([C@@]1(C2)[H])ccc3)[H])[H]
SPLASH splash10-0a4i-0900000000-36d18e08e6c9d7cae147
Source of Spectrum KC-0-2297-14
Synonyms (2S,5S,6R,9R)-Tetracyclo[9.3.1.1(2,5).1(6,9)]heptadeca-1(15),3,7,11,13-pentaene (2S,5S,6R,9S)-Tetracyclo[9.3.1.1(2,5).1(6,9)]heptadeca-1(15),3,7,11,13-pentaene
Wiley ID 828383