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(1E,3R*,5R*,6R*,7R*)-6,8-Diacetoxy-3,5,7-trimethyl-1-phenyloct-1-ene
SpectraBase Compound ID HagFarDyjbd
InChI InChI=1S/C21H30O4/c1-15(11-12-20-9-7-6-8-10-20)13-16(2)21(25-19(5)23)17(3)14-24-18(4)22/h6-12,15-17,21H,13-14H2,1-5H3/b12-11+/t15-,16+,17+,21+/m1/s1
InChIKey ALRXFQJQPHKLLY-DQTZVJPISA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i7HHCFzmz6
Name (1E,3R*,5R*,6R*,7R*)-6,8-Diacetoxy-3,5,7-trimethyl-1-phenyloct-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-15(11-12-20-9-7-6-8-10-20)13-16(2)21(25-19(5)23)17(3)14-24-18(4)22/h6-12,15-17,21H,13-14H2,1-5H3/b12-11+/t15-,16+,17+,21+/m1/s1
InChIKey ALRXFQJQPHKLLY-DQTZVJPISA-N
Molecular Weight 346.467 g/mol
SMILES [C@@](OC(=O)C)([C@](C[C@@](\C=C\c1ccccc1)(C)[H])(C)[H])([C@](COC(=O)C)(C)[H])[H]
SPLASH splash10-0006-1900000000-c70c4d309f5b0aa44348
Source of Spectrum KC-0-2660-33
Synonyms (1R,2R,4R,5E)-1-[(1R)-2-(acetyloxy)-1-methylethyl]-2,4-dimethyl-6-phenyl-5-hexenyl acetate Acetic acid (E)-(1S,2S,4S)-1-((S)-2-acetoxy-1-methyl-ethyl)-2,4-dimethyl-6-phenyl-hex-5-enyl ester
Wiley ID 826143