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methyl-1-phenylethyl)cyclohexyl (2'S)-2'-isopropyl-4',4'-dimethylpentanoate
SpectraBase Compound ID H4JAmfXqDyc
InChI InChI=1S/C26H42O2/c1-18(2)21(17-25(4,5)6)24(27)28-23-16-19(3)14-15-22(23)26(7,8)20-12-10-9-11-13-20/h9-13,18-19,21-23H,14-17H2,1-8H3/t19-,21+,22-,23-/m1/s1
InChIKey SRXWXORXLZQLHI-CWKRKGSWSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LKVS7HJRG3
Name methyl-1-phenylethyl)cyclohexyl (2'S)-2'-isopropyl-4',4'-dimethylpentanoate
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Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-18(2)21(17-25(4,5)6)24(27)28-23-16-19(3)14-15-22(23)26(7,8)20-12-10-9-11-13-20/h9-13,18-19,21-23H,14-17H2,1-8H3/t19-,21+,22-,23-/m1/s1
InChIKey SRXWXORXLZQLHI-CWKRKGSWSA-N
Instrument Name Finnigan MAT, Varian Saturn II
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.5
Molecular Weight 386.620 g/mol
Reported Formula C26H42O2
SMILES C1[C@](C[C@]([C@@](C1)(C(C)(C)c1ccccc1)[H])(OC([C@@](CC(C)(C)C)(C(C)C)[H])=O)[H])(C)[H]
SPLASH splash10-014i-0910000000-91ad09bdbba2fdd14fb0
Sample Comments 38% de
Source of Spectrum BJO-13-SM17-24b
Wiley ID 1848321