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(E)-(S)-(+)-6-Hydroxy-8-phenyl-2-pivaloxyoct-7-enyl pivalate
SpectraBase Compound ID JCtqNkT8eUe
InChI InChI=1S/C24H36O5/c1-23(2,3)21(26)28-17-20(29-22(27)24(4,5)6)14-10-13-19(25)16-15-18-11-8-7-9-12-18/h7-9,11-12,15-16,19-20,25H,10,13-14,17H2,1-6H3/b16-15+/t19?,20-/m0/s1
InChIKey BZVQWEQRSMEUEY-CQQXNVMQSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyWyjSmoEm0
Name (E)-(S)-(+)-6-Hydroxy-8-phenyl-2-pivaloxyoct-7-enyl pivalate
Alternate Name(s) (2S,7E)-2-[(2,2-dimethylpropanoyl)oxy]-6-hydroxy-8-phenyl-7-octenyl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-23(2,3)21(26)28-17-20(29-22(27)24(4,5)6)14-10-13-19(25)16-15-18-11-8-7-9-12-18/h7-9,11-12,15-16,19-20,25H,10,13-14,17H2,1-6H3/b16-15+/t19?,20-/m0/s1
InChIKey BZVQWEQRSMEUEY-CQQXNVMQSA-N
Molecular Weight 404.547 g/mol
SMILES OC(\C=C\c1ccccc1)CCC[C@@](COC(C(C)(C)C)=O)(OC(C(C)(C)C)=O)[H]
SPLASH splash10-0a4i-9200000000-439798372b8009daba45
Source of Spectrum QC-8-787-4
Wiley ID 869805