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3-[ 9',10'-Dihydro-9',10'-ethanoanthracene-11'-ylidene]-[1-(13C)]prop-2-enoic acid
SpectraBase Compound ID BamyK3PDeDF
InChI InChI=1S/C19H14O2/c20-18(21)10-9-12-11-17-13-5-1-3-7-15(13)19(12)16-8-4-2-6-14(16)17/h1-8,10,17,19H,11H2,(H,20,21)/t9?,17-,19+/i18+1
InChIKey ROPUXBBJHOCYOA-PQKVVMQYSA-N
Mol Weight 275.31 g/mol
Molecular Formula C1813CH14O2
Exact Mass 275.102735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ju9iCbXCAV
Name 3-[ 9',10'-Dihydro-9',10'-ethanoanthracene-11'-ylidene]-[1-(13C)]prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks; Original formula: C18[13C]H14O2
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Formula C19H14O2
InChI InChI=1S/C19H14O2/c20-18(21)10-9-12-11-17-13-5-1-3-7-15(13)19(12)16-8-4-2-6-14(16)17/h1-8,10,17,19H,11H2,(H,20,21)/t9?,17-,19+/i18+1
InChIKey ROPUXBBJHOCYOA-PQKVVMQYSA-N
Molecular Weight 275.311 g/mol
SMILES O[13C](C=C=C1[C@]2(c3ccccc3[C@@](C1)(c1ccccc21)[H])[H])=O
SPLASH splash10-004i-0900000000-359724fde12a4ae64980
Source of Spectrum B-52-667-0
Wiley ID 746514