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2,5,10-Trimethyl-6-dehydro[13]annulenone
SpectraBase Compound ID 6xPDXD80CHZ
InChI InChI=1S/C16H16O/c1-13-7-4-5-8-14(2)11-12-15(3)16(17)10-6-9-13/h4,6-7,9-12H,1-3H3/b7-4?,10-6+,13-9-,14-11-,15-12+
InChIKey SGBFZSNFCLWKJG-JKCKAFIJSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5y9euXrb6jJ
Name 2,5,10-Trimethyl-6-dehydro[13]annulenone
Alternate Name(s) 5,10,13-trimethyl-2,4,6,10,12-cyclotridecapentaen-8-yn-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H16O
InChI InChI=1S/C16H16O/c1-13-7-4-5-8-14(2)11-12-15(3)16(17)10-6-9-13/h4,6-7,9-12H,1-3H3/b7-4?,10-6+,13-9-,14-11-,15-12+
InChIKey SGBFZSNFCLWKJG-JKCKAFIJSA-N
Molecular Weight 224.303 g/mol
SMILES C#1\C(=C/C=C/(C(\C=C\C=C/(C=CC1)C)=O)C)C
SPLASH splash10-014i-0930000000-64fcff1429b2719c7f74
Source of Spectrum AJ-71-228-7
Wiley ID 774367