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2,2',6',2"-Tetrahydroxy-1,1',5',1"-ternaphthyl tetraacetate
SpectraBase Compound ID 9YXsPw0WiZk
InChI InChI=1S/C48H34O9/c1-27(49)53-39-22-17-31-11-5-8-14-34(31)44(39)46-37-21-26-42(57-48-36-16-10-7-13-33(36)19-24-43(48)56-30(4)52)47(38(37)20-25-41(46)55-29(3)51)45-35-15-9-6-12-32(35)18-23-40(45)54-28(2)50/h5-26H,1-4H3
InChIKey QUWKEHFQPNWJHB-UHFFFAOYSA-N
Mol Weight 754.8 g/mol
Molecular Formula C48H34O9
Exact Mass 754.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FICmBh0kQGM
Name 2,2',6',2''-Tetrahydroxy-1,1',5',1''-ternaphthyl tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 754.220282666 u
Formula C48H34O9
InChI InChI=1S/C48H34O9/c1-27(49)53-39-22-17-31-11-5-8-14-34(31)44(39)46-37-21-26-42(57-48-36-16-10-7-13-33(36)19-24-43(48)56-30(4)52)47(38(37)20-25-41(46)55-29(3)51)45-35-15-9-6-12-32(35)18-23-40(45)54-28(2)50/h5-26H,1-4H3
InChIKey QUWKEHFQPNWJHB-UHFFFAOYSA-N
Molecular Weight 754.791 g/mol
SMILES C1(C2=C(OC(=O)C)C=CC=3C2=CC=CC3)=C2C(C(C3=C(OC(=O)C)C=CC=4C3=CC=CC4)=C(C=C2)OC(=O)C)=CC=C1OC=1C(OC(=O)C)=CC=C2C1C=CC=C2