For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(E)-5-((1'S,4'R,6'R)-4'-Acetoxy-1'-hydroxy-2',2',6'-trimethylcyclohexyl)-3-methyl-2-penten-4-yn-1-ol-1-acetate
SpectraBase Compound ID KtV7a14QP4Q
InChI InChI=1S/C19H28O5/c1-13(8-10-23-15(3)20)7-9-19(22)14(2)11-17(24-16(4)21)12-18(19,5)6/h8,14,17,22H,10-12H2,1-6H3/b13-8+/t14?,17?,19-/m0/s1
InChIKey XVGOEDAXCXVFBS-LLLGMKILSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3SsUvf72DQ
Name 2-(E)-5-((1'S,4'R,6'R)-4'-Acetoxy-1'-hydroxy-2',2',6'-trimethylcyclohexyl)-3-methyl-2-penten-4-yn-1-ol-1-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-13(8-10-23-15(3)20)7-9-19(22)14(2)11-17(24-16(4)21)12-18(19,5)6/h8,14,17,22H,10-12H2,1-6H3/b13-8+/t14?,17?,19-/m0/s1
InChIKey XVGOEDAXCXVFBS-LLLGMKILSA-N
Molecular Weight 336.428 g/mol
SMILES O[C@]1(C#C\C(=C\COC(=O)C)C)C(CC(CC1C)OC(=O)C)(C)C
SPLASH splash10-06tg-2940000000-63ef3364bb03e5024053
Source of Spectrum QC-5-1370-10
Wiley ID 883624