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Methylene-bis(2-cresylmethyl-2,6-cresol), tetrameric p-cresol-formaldehyde condensation product
SpectraBase Compound ID 2QrfvVssWTm
InChI InChI=1S/C31H32O4/c1-18-5-7-28(32)22(9-18)15-24-11-20(3)13-26(30(24)34)17-27-14-21(4)12-25(31(27)35)16-23-10-19(2)6-8-29(23)33/h5-14,32-35H,15-17H2,1-4H3
InChIKey KYOZIVFRHLSSKN-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C31H32O4
Exact Mass 468.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xBzHXw0Pi6
Name Methylene-bis(2-cresylmethyl-2,6-cresol), tetrameric p-cresol-formaldehyde condensation product
Comments Computed using HOSE algorithm
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Exact Mass 468.230059506 u
Formula C31H32O4
InChI InChI=1S/C31H32O4/c1-18-5-7-28(32)22(9-18)15-24-11-20(3)13-26(30(24)34)17-27-14-21(4)12-25(31(27)35)16-23-10-19(2)6-8-29(23)33/h5-14,32-35H,15-17H2,1-4H3
InChIKey KYOZIVFRHLSSKN-UHFFFAOYSA-N
Molecular Weight 468.593 g/mol
Nominal Mass 468 u
SMILES OC1=C(CC=2C(=C(CC3=CC(=CC(=C3O)CC3=CC(=CC=C3O)C)C)C=C(C2)C)O)C=C(C=C1)C