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2Z-5-((4'R)-4'-Acetoxy-2',2',6'-trimethylcyclohex-1'-enyl)-3-methyl-2-penten-4-yn-1-ol-1-acetate
SpectraBase Compound ID E4DbO2y025R
InChI InChI=1S/C19H26O4/c1-13(9-10-22-15(3)20)7-8-18-14(2)11-17(23-16(4)21)12-19(18,5)6/h9,17H,10-12H2,1-6H3/b13-9-/t17-/m1/s1
InChIKey VTWIPBUIGMOKBO-HOFZKYPUSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TPrGBgmHuC
Name 2Z-5-((4'R)-4'-Acetoxy-2',2',6'-trimethylcyclohex-1'-enyl)-3-methyl-2-penten-4-yn-1-ol-1-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-13(9-10-22-15(3)20)7-8-18-14(2)11-17(23-16(4)21)12-19(18,5)6/h9,17H,10-12H2,1-6H3/b13-9-/t17-/m1/s1
InChIKey VTWIPBUIGMOKBO-HOFZKYPUSA-N
Molecular Weight 318.413 g/mol
SMILES C1(C#C\C(=C/COC(=O)C)C)=C(C[C@](CC1(C)C)(OC(=O)C)[H])C
SPLASH splash10-0a59-2690000000-f249fce3a7a8e2f9befd
Source of Spectrum QC-5-1788-9
Wiley ID 883733