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9-Phenanthrenemethyl 3,4,5-trimethoxybenzoate

View entire compound with spectra: 1 NMR

9-Phenanthrenemethyl 3,4,5-trimethoxybenzoate
SpectraBase Compound ID 6HrKYV1R9eK
InChI InChI=1S/C25H22O5/c1-27-22-13-17(14-23(28-2)24(22)29-3)25(26)30-15-18-12-16-8-4-5-9-19(16)21-11-7-6-10-20(18)21/h4-14H,15H2,1-3H3
InChIKey DNXNTBUBRMVKLC-UHFFFAOYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C25H22O5
Exact Mass 402.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wFIMt9XTOw
Name 9-Phenanthrenemethyl 3,4,5-trimethoxybenzoate
Comments Computed using HOSE algorithm
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Exact Mass 402.146723803 u
Formula C25H22O5
InChI InChI=1S/C25H22O5/c1-27-22-13-17(14-23(28-2)24(22)29-3)25(26)30-15-18-12-16-8-4-5-9-19(16)21-11-7-6-10-20(18)21/h4-14H,15H2,1-3H3
InChIKey DNXNTBUBRMVKLC-UHFFFAOYSA-N
Molecular Weight 402.446 g/mol
SMILES C1=C2C(=CC=C1)C1=C(C(=C2)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC=C1