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3-Buten-2-ol, 4-[5-[4-[(2-methoxyethoxy)methoxy]-3-[[(2-methoxyethoxy)methoxy]methyl]-2-butenyl]-2,6,6-trimethyl-1-cyclohexen-1-yl]-
SpectraBase Compound ID GsMdDi4OGAt
InChI InChI=1S/C26H46O7/c1-21-7-10-24(26(3,4)25(21)12-8-22(2)27)11-9-23(17-32-19-30-15-13-28-5)18-33-20-31-16-14-29-6/h8-9,12,22,24,27H,7,10-11,13-20H2,1-6H3/b12-8+
InChIKey VSQXFQNNRGRZKE-XYOKQWHBSA-N
Mol Weight 470.6 g/mol
Molecular Formula C26H46O7
Exact Mass 470.324354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8um3Ykqr3T
Name 3-Buten-2-ol, 4-[5-[4-[(2-methoxyethoxy)methoxy]-3-[[(2-methoxyethoxy)methoxy]methyl]-2-butenyl]-2,6,6-trimethyl-1-cyclohexen-1-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.324353814 u
Formula C26H46O7
InChI InChI=1S/C26H46O7/c1-21-7-10-24(26(3,4)25(21)12-8-22(2)27)11-9-23(17-32-19-30-15-13-28-5)18-33-20-31-16-14-29-6/h8-9,12,22,24,27H,7,10-11,13-20H2,1-6H3/b12-8+
InChIKey VSQXFQNNRGRZKE-XYOKQWHBSA-N
Molecular Weight 470.647 g/mol
SMILES C=1(C(C(CC=C(COCOCCOC)COCOCCOC)CCC1C)(C)C)\C=C\C(O)C