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Ethyl 3-phenylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate

View entire compound with spectra: 1 NMR

Ethyl 3-phenylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
SpectraBase Compound ID 1UhDshOSa78
InChI InChI=1S/C16H16O2/c1-2-18-16(17)15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-9,12-13H,2,10H2,1H3/t12-,13+/m1/s1
InChIKey MHZVEZDWYVLQSM-OLZOCXBDSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rnm66VyQph
Name Ethyl 3-phenylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-2-18-16(17)15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-9,12-13H,2,10H2,1H3/t12-,13+/m1/s1
InChIKey MHZVEZDWYVLQSM-OLZOCXBDSA-N
Molecular Weight 240.302 g/mol
SMILES [C@@]12(C[C@@](C=C2)(C(=C1C(OCC)=O)C=1C=CC=CC1)[H])[H]