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Methyl 3-(9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene)-[1-13C]-prop-2-enoate
SpectraBase Compound ID HK7FPHCRgfQ
InChI InChI=1S/C20H16O2/c1-22-19(21)11-10-13-12-18-14-6-2-4-8-16(14)20(13)17-9-5-3-7-15(17)18/h2-9,11,18,20H,12H2,1H3/t10?,18-,20+/i19+1
InChIKey BRRAJZNDXFAUTN-KTPNJBQCSA-N
Mol Weight 289.34 g/mol
Molecular Formula C1913CH16O2
Exact Mass 289.118385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8P44l9bfHMe
Name Methyl 3-(9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene)-[1-13C]-prop-2-enoate
Alternate Name(s) Methyl 3-[ 9',10'-Dihydro-9',10'-ethanoanthracene-11'-ylidene]-[1-(¹³C)]prop-2-enoate
Comments Less than 3 mono-isotopic peaks; Original formula: C19[13C]H16O2
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Formula C20H16O2
InChI InChI=1S/C20H16O2/c1-22-19(21)11-10-13-12-18-14-6-2-4-8-16(14)20(13)17-9-5-3-7-15(17)18/h2-9,11,18,20H,12H2,1H3/t10?,18-,20+/i19+1
InChIKey BRRAJZNDXFAUTN-KTPNJBQCSA-N
Molecular Weight 289.338 g/mol
SMILES C1([C@]2(c3ccccc3[C@@](C1)(c1ccccc21)[H])[H])=C=C[13C](=O)OC
SPLASH splash10-004i-0900000000-981ab936ab9e3562a720
Source of Spectrum B-52-666-2
Wiley ID 746515