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2,4,4'-Trihydroxybenzophenone, tris(trimethylacetate)
SpectraBase Compound ID 5SAsC5dyWDY
InChI InChI=1S/C28H34O7/c1-26(2,3)23(30)33-18-12-10-17(11-13-18)22(29)20-15-14-19(34-24(31)27(4,5)6)16-21(20)35-25(32)28(7,8)9/h10-16H,1-9H3
InChIKey BCSSZRZOVKZQPN-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C28H34O7
Exact Mass 482.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyZfTsQjIiK
Name 2,4,4'-Trihydroxybenzophenone, tris(trimethylacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.230453428 u
Formula C28H34O7
InChI InChI=1S/C28H34O7/c1-26(2,3)23(30)33-18-12-10-17(11-13-18)22(29)20-15-14-19(34-24(31)27(4,5)6)16-21(20)35-25(32)28(7,8)9/h10-16H,1-9H3
InChIKey BCSSZRZOVKZQPN-UHFFFAOYSA-N
Molecular Weight 482.573 g/mol
SMILES C1(OC(C(C)(C)C)=O)=C(C=CC(=C1)OC(C(C)(C)C)=O)C(=O)C1=CC=C(C=C1)OC(C(C)(C)C)=O