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1,4:9,10-Dimethanoanthracene, 1,2,3,4,4a,9,9a,10-octahydro-, (1.alpha.,4.alpha.,4a.alpha.,9.beta.,9a.alpha.,10.beta.)-
SpectraBase Compound ID 5DZQwhOYF3w
InChI InChI=1S/C16H18/c1-2-4-12-11(3-1)13-8-14(12)16-10-6-5-9(7-10)15(13)16/h1-4,9-10,13-16H,5-8H2/t9-,10+,13+,14-,15+,16-
InChIKey VWMIKOJUDBEKIP-CQIPFPTNSA-N
Mol Weight 210.32 g/mol
Molecular Formula C16H18
Exact Mass 210.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiBEnXiXNox
Name 1,4:9,10-Dimethanoanthracene, 1,2,3,4,4a,9,9a,10-octahydro-, (1.alpha.,4.alpha.,4a.alpha.,9.beta.,9a.alpha.,10.beta.)-
CAS Registry Number 72243-82-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18
InChI InChI=1S/C16H18/c1-2-4-12-11(3-1)13-8-14(12)16-10-6-5-9(7-10)15(13)16/h1-4,9-10,13-16H,5-8H2/t9-,10+,13+,14-,15+,16-
InChIKey VWMIKOJUDBEKIP-CQIPFPTNSA-N
Molecular Weight 210.320 g/mol
SMILES [C@@]12([C@@]([C@]3([H])C[C@]2(c2c3cccc2)[H])([C@]2([H])C[C@]1(CC2)[H])[H])[H]
SPLASH splash10-001i-0920000000-8386f230108351427f1a
Source of Spectrum C-102-674-0
Synonyms (1R,2R,3R,6S,7S,8S)-pentacyclo[6.6.1.1(3,6).0(2,7).0(9,14)]hexadeca-9,11,13-triene endo,exo-1,2,3,4,4a,9,9a,10-octahydro-1,4:9,10-dimethanoanthracene
Wiley ID 1210053