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2,2,5-Trimethyl-4,4-dideuterio-6-[3,7,11,15-tetramethyl-3-hydroxy-hexadeca-6,10,14-trienyl]-1,3-dioxacyclohexane
SpectraBase Compound ID KhBbfFUsCDn
InChI InChI=1S/C27H48O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-27(8,28)19-17-25-24(5)20-29-26(6,7)30-25/h12,14,16,24-25,28H,9-11,13,15,17-20H2,1-8H3/b22-14+,23-16+/i20D2
InChIKey RARUINUKZBESCX-GNLYYGPUSA-N
Mol Weight 422.7 g/mol
Molecular Formula C27H462D2O3
Exact Mass 422.372899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89jdj8F2jto
Name 2,2,5-Trimethyl-4,4-dideuterio-6-[3,7,11,15-tetramethyl-3-hydroxy-hexadeca-6,10,14-trienyl]-1,3-dioxacyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46D2O3
InChI InChI=1S/C27H48O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-27(8,28)19-17-25-24(5)20-29-26(6,7)30-25/h12,14,16,24-25,28H,9-11,13,15,17-20H2,1-8H3/b22-14+,23-16+/i20D2
InChIKey RARUINUKZBESCX-GNLYYGPUSA-N
Molecular Weight 422.690 g/mol
SMILES OC(CCC1OC(OC(C1C)([2D])[2D])(C)C)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C
SPLASH splash10-00ds-0900100000-498a5801e0a3aff79356
Source of Spectrum F-41-3401-0
Wiley ID 1378156