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(2S)-O-Methylmandelate ester
SpectraBase Compound ID IUCKCjs71Jw
InChI InChI=1S/C26H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(22-28-2)30-26(27)25(29-3)23-19-16-15-17-20-23/h15-17,19-20,24-25H,4-14,18,21-22H2,1-3H3/t24?,25-/m1/s1
InChIKey PFSYNGYVUYMGIG-WUBHUQEYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H44O4
Exact Mass 420.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 908uzRHoZUx
Name (2S)-O-Methylmandelate ester
Alternate Name(s) (2R)-O-Methylmandelate ester 1-(methoxymethyl)pentadecyl (2R)-methoxy(phenyl)ethanoate
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Formula C26H44O4
InChI InChI=1S/C26H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(22-28-2)30-26(27)25(29-3)23-19-16-15-17-20-23/h15-17,19-20,24-25H,4-14,18,21-22H2,1-3H3/t24?,25-/m1/s1
InChIKey PFSYNGYVUYMGIG-WUBHUQEYSA-N
Molecular Weight 420.634 g/mol
SMILES C([C@@](c1ccccc1)(OC)[H])(OC(COC)CCCCCCCCCCCCCC)=O
SPLASH splash10-00di-3900000000-ea9641999ca8464d2919
Source of Spectrum F-52-10482-16
Wiley ID 797980