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Triyclo[4.4.1.1(2,5)]dodeca-3,7,9-trien-11-one
SpectraBase Compound ID 9stjSKzdhPT
InChI InChI=1S/C12H12O/c13-12-10-3-1-2-4-11(12)9-6-5-8(10)7-9/h1-6,8-11H,7H2/t8-,9-,10-,11+/m1/s1
InChIKey INLAFCWZCJGTFM-DBIOUOCHSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF2tHMbaGWd
Name Triyclo[4.4.1.1(2,5)]dodeca-3,7,9-trien-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c13-12-10-3-1-2-4-11(12)9-6-5-8(10)7-9/h1-6,8-11H,7H2/t8-,9-,10-,11+/m1/s1
InChIKey INLAFCWZCJGTFM-DBIOUOCHSA-N
Molecular Weight 172.227 g/mol
SMILES C1([C@@]2([C@@]3(C=C[C@@]([C@]1(C=CC=C2)[H])(C3)[H])[H])[H])=O
SPLASH splash10-0a4i-9700000000-29380cb66ce6becea5d2
Source of Spectrum Y1-44-2642-6
Wiley ID 1621447