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5,10-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-
SpectraBase Compound ID 43l8gJZg1fb
InChI InChI=1S/C13H14O/c14-13-11-7-3-4-8-12(13)10-6-2-1-5-9(10)11/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12+
InChIKey LQEVGEGIEDKITI-TXEJJXNPSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4w1PGc7v7mA
Name 5,10-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-
CAS Registry Number 22824-78-8
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718204
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c14-13-11-7-3-4-8-12(13)10-6-2-1-5-9(10)11/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12+
InChIKey LQEVGEGIEDKITI-TXEJJXNPSA-N
Molecular Weight 186.254 g/mol
SMILES C1([C@@]2(c3ccccc3[C@]1(CCCC2)[H])[H])=O
SPLASH splash10-0019-9600000000-f9b7cda09d10c6027f4a
Source of Spectrum B-31-1601-0
Synonyms 5,6,7,8,9,10-Hexahydro-5,10-methanobenzocycloocten-11-one tricyclo[6.4.1.0(2,7)]trideca-2,4,6-trien-13-one
Wiley ID 1183401