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(+)-(3R)-Mosher's ester of (-)-3-(4-Methoxyphenyl)pent-4-en-1-ol
SpectraBase Compound ID HliBiHM8T86
InChI InChI=1S/C22H23F3O4/c1-4-16(17-10-12-19(27-2)13-11-17)14-15-29-20(26)21(28-3,22(23,24)25)18-8-6-5-7-9-18/h4-13,16H,1,14-15H2,2-3H3/t16-,21?/m0/s1
InChIKey XMZWJOVKVGKMSO-BJQOMGFOSA-N
Mol Weight 408.42 g/mol
Molecular Formula C22H23F3O4
Exact Mass 408.154844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65VMuq7kT0q
Name (+)-(3R)-Mosher's ester of (-)-3-(4-Methoxyphenyl)pent-4-en-1-ol
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Formula C22H23F3O4
InChI InChI=1S/C22H23F3O4/c1-4-16(17-10-12-19(27-2)13-11-17)14-15-29-20(26)21(28-3,22(23,24)25)18-8-6-5-7-9-18/h4-13,16H,1,14-15H2,2-3H3/t16-,21?/m0/s1
InChIKey XMZWJOVKVGKMSO-BJQOMGFOSA-N
Molecular Weight 408.417 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC[C@@](c1ccc(cc1)OC)(C=C)[H])(c1ccccc1)OC
SPLASH splash10-006t-1900000000-6790c14a5aa1806af7f0
Source of Spectrum KC-0-409-15
Wiley ID 785221