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2,4-Hexanediol, 5-[2-(3-hydroxy-1-propen-1-yl)-4-methylphenyl]-3-methyl-, 3tms

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2,4-Hexanediol, 5-[2-(3-hydroxy-1-propen-1-yl)-4-methylphenyl]-3-methyl-, 3tms
SpectraBase Compound ID 8W06281E7p
InChI InChI=1S/C26H50O3Si3/c1-20-16-17-25(24(19-20)15-14-18-27-30(5,6)7)22(3)26(29-32(11,12)13)21(2)23(4)28-31(8,9)10/h14-17,19,21-23,26H,18H2,1-13H3/b15-14+
InChIKey PBNQZOJVSMJZSD-CCEZHUSRSA-N
Mol Weight 494.9 g/mol
Molecular Formula C26H50O3Si3
Exact Mass 494.306775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mnT55n8De8
Name 2,4-Hexanediol, 5-[2-(3-hydroxy-1-propen-1-yl)-4-methylphenyl]-3-methyl-, 3tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.306775072 u
Formula C26H50O3Si3
InChI InChI=1S/C26H50O3Si3/c1-20-16-17-25(24(19-20)15-14-18-27-30(5,6)7)22(3)26(29-32(11,12)13)21(2)23(4)28-31(8,9)10/h14-17,19,21-23,26H,18H2,1-13H3/b15-14+
InChIKey PBNQZOJVSMJZSD-CCEZHUSRSA-N
Molecular Weight 494.938 g/mol
SMILES C[Si](C)(C)OC\C=C\C1=C(C=CC(C)=C1)C(C)C(C(C)C(O[Si](C)(C)C)C)O[Si](C)(C)C