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1,4-Acetylcubane
SpectraBase Compound ID CK727BbhhK4
InChI InChI=1S/C12H12O2/c1-3(13)11-5-8-6(11)10-7(11)9(5)12(8,10)4(2)14/h5-10H,1-2H3
InChIKey NJCKKSCZSFRQNZ-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vURGpdAKK3
Name 1,4-Acetylcubane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-3(13)11-5-8-6(11)10-7(11)9(5)12(8,10)4(2)14/h5-10H,1-2H3
InChIKey NJCKKSCZSFRQNZ-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C12(C3C4C2C2C4(C(=O)C)C3C12)C(=O)C
SPLASH splash10-0f6x-8900000000-a92e986666f0c067d46b
Source of Spectrum J-56-5142-13
Synonyms 1-(4-acetylpentacyclo[4.2.0.0(2,5).0(3,8).0(4,7)]oct-1-yl)ethanone
Wiley ID 1184947