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Ethyl [(3)-(anti)-[2.2]metacyclophan-4-yl] propanoate
SpectraBase Compound ID 4etNz31VD3B
InChI InChI=1S/C21H24O2/c1-2-23-21(22)14-13-20-15-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12,15H,2,7-9,11,13-14H2,1H3
InChIKey AYEJGMITUUAZPS-UHFFFAOYSA-N
Mol Weight 308.42 g/mol
Molecular Formula C21H24O2
Exact Mass 308.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3s6KFoz9HrX
Name Ethyl [(3)-(anti)-[2.2]metacyclophan-4-yl] propanoate
Alternate Name(s) Ethyl 3-tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-ylpropanoate
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Formula C21H24O2
InChI InChI=1S/C21H24O2/c1-2-23-21(22)14-13-20-15-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12,15H,2,7-9,11,13-14H2,1H3
InChIKey AYEJGMITUUAZPS-UHFFFAOYSA-N
Molecular Weight 308.421 g/mol
SMILES c1(c2ccc(c1)CCc1ccc(CC2)cc1)CCC(=O)OCC
SPLASH splash10-0a4i-0091000000-dff2b9e6e340c6f67cc2
Source of Spectrum K-126-172-14
Wiley ID 1310327