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Ethyl 3-(cyclohepta-2',4',6'-trienyl)-6-methoxyhex-2-enoaate
SpectraBase Compound ID 6TjmG2fbt8p
InChI InChI=1S/C16H22O3/c1-3-19-16(17)13-15(11-8-12-18-2)14-9-6-4-5-7-10-14/h4-7,9-10,13-14H,3,8,11-12H2,1-2H3/b15-13-
InChIKey XLJQBPBHKSWKCC-SQFISAMPSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KvYdoZjWAl
Name Ethyl 3-(cyclohepta-2',4',6'-trienyl)-6-methoxyhex-2-enoaate
Alternate Name(s) Ethyl (2Z)-3-(2,4,6-cycloheptatrien-1-yl)-6-methoxy-2-hexenoate Ethyl 3-(cyclohepta-2,4,6-trienyl)-6-methoxyhex-2-enoate
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-3-19-16(17)13-15(11-8-12-18-2)14-9-6-4-5-7-10-14/h4-7,9-10,13-14H,3,8,11-12H2,1-2H3/b15-13-
InChIKey XLJQBPBHKSWKCC-SQFISAMPSA-N
Molecular Weight 262.349 g/mol
SMILES C1(\C(=C/C(=O)OCC)CCCOC)C=CC=CC=C1
SPLASH splash10-054p-7900000000-bc3f0381d4bb0406ac11
Source of Spectrum H-78-141-17
Wiley ID 1266179