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Bisphenol tmc, bis(2-methylpropionate)
SpectraBase Compound ID LFYYkQRuNKG
InChI InChI=1S/C29H38O4/c1-19(2)26(30)32-24-12-8-22(9-13-24)29(17-21(5)16-28(6,7)18-29)23-10-14-25(15-11-23)33-27(31)20(3)4/h8-15,19-21H,16-18H2,1-7H3
InChIKey YIODJQXWDGXFRM-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C29H38O4
Exact Mass 450.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3gXPrHIwWz
Name Bisphenol tmc, bis(2-methylpropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.277009700 u
Formula C29H38O4
InChI InChI=1S/C29H38O4/c1-19(2)26(30)32-24-12-8-22(9-13-24)29(17-21(5)16-28(6,7)18-29)23-10-14-25(15-11-23)33-27(31)20(3)4/h8-15,19-21H,16-18H2,1-7H3
InChIKey YIODJQXWDGXFRM-UHFFFAOYSA-N
Molecular Weight 450.619 g/mol
SMILES C1=CC(OC(C(C)C)=O)=CC=C1C1(CC(C)(C)CC(C1)C)C1=CC=C(C=C1)OC(C(C)C)=O