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(9E)-7-keto-6,8-dihydro-5H-benzocyclooctene-9-carboxylic acid methyl ester
SpectraBase Compound ID 1Ng3zEz322T
InChI InChI=1S/C14H14O3/c1-17-14(16)12-8-11-5-3-2-4-10(11)6-7-13(15)9-12/h2-5,8H,6-7,9H2,1H3/b12-8+
InChIKey PRNTZDXHGAIAFK-XYOKQWHBSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GEqlann5FP
Name (9E)-7-keto-6,8-dihydro-5H-benzocyclooctene-9-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-17-14(16)12-8-11-5-3-2-4-10(11)6-7-13(15)9-12/h2-5,8H,6-7,9H2,1H3/b12-8+
InChIKey PRNTZDXHGAIAFK-XYOKQWHBSA-N
Molecular Weight 230.263 g/mol
SMILES c12\C=C/(CC(CCc2cccc1)=O)C(=O)OC
SPLASH splash10-0002-0900000000-eebbc9dcaf7cb4cc3039
Source of Spectrum KC-0-59-37
Synonyms (9E)-7-oxo-6,8-dihydro-5H-benzo[8]annulene-9-carboxylic acid methyl ester methyl (9E)-7-oxidanylidene-6,8-dihydro-5H-benzo[8]annulene-9-carboxylate methyl (9E)-7-oxo-6,8-dihydro-5H-benzo[8]annulene-9-carboxylate
Wiley ID 782920