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(2,6-dimethylphenyl) (E,2S,3S,4R)-2,4,6-trimethyl-3-oxidanyl-oct-6-enoate
SpectraBase Compound ID CebE60MKEF2
InChI InChI=1S/C19H28O3/c1-7-12(2)11-15(5)17(20)16(6)19(21)22-18-13(3)9-8-10-14(18)4/h7-10,15-17,20H,11H2,1-6H3/b12-7+/t15-,16+,17+/m1/s1
InChIKey DAGSJDIPFMMROP-VPGMZDJOSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AR3sgQb58nj
Name (2,6-dimethylphenyl) (E,2S,3S,4R)-2,4,6-trimethyl-3-oxidanyl-oct-6-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-7-12(2)11-15(5)17(20)16(6)19(21)22-18-13(3)9-8-10-14(18)4/h7-10,15-17,20H,11H2,1-6H3/b12-7+/t15-,16+,17+/m1/s1
InChIKey DAGSJDIPFMMROP-VPGMZDJOSA-N
Molecular Weight 304.430 g/mol
SMILES O[C@]([C@@](C(Oc1c(cccc1C)C)=O)(C)[H])([C@@](C\C(=C\C)C)(C)[H])[H]
SPLASH splash10-00xr-5910000000-e6bfca78fee9b7ebaa6f
Source of Spectrum J-59-3355-44
Synonyms (2,6-dimethylphenyl) (E,2S,3S,4R)-3-hydroxy-2,4,6-trimethyl-oct-6-enoate (E,2S,3S,4R)-3-hydroxy-2,4,6-trimethyl-6-octenoic acid (2,6-dimethylphenyl) ester (E,2S,3S,4R)-3-hydroxy-2,4,6-trimethyl-oct-6-enoic acid (2,6-dimethylphenyl) ester
Wiley ID 1306744