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9-Phenanthrenemethyl 2-phenylcinnamate

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9-Phenanthrenemethyl 2-phenylcinnamate
SpectraBase Compound ID LMAaBUa4ayJ
InChI InChI=1S/C30H22O2/c31-30(20-29(22-11-3-1-4-12-22)23-13-5-2-6-14-23)32-21-25-19-24-15-7-8-16-26(24)28-18-10-9-17-27(25)28/h1-20H,21H2
InChIKey CBRWAAJMTRWNNH-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C30H22O2
Exact Mass 414.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZczSSEuBYA
Name 9-Phenanthrenemethyl 2-phenylcinnamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.161979946 u
Formula C30H22O2
InChI InChI=1S/C30H22O2/c31-30(20-29(22-11-3-1-4-12-22)23-13-5-2-6-14-23)32-21-25-19-24-15-7-8-16-26(24)28-18-10-9-17-27(25)28/h1-20H,21H2
InChIKey CBRWAAJMTRWNNH-UHFFFAOYSA-N
Molecular Weight 414.504 g/mol
SMILES C1=C2C(=CC=C1)C1=C(C(=C2)COC(=O)C=C(C=2C=CC=CC2)C=2C=CC=CC2)C=CC=C1