| SpectraBase Spectrum ID |
3VTRQ4D5kY5 |
| Name |
(R)-O-Methylmandelate ester |
| Alternate Name(s) |
(2S)-2-iodohexadecyl (2R)-methoxy(phenyl)ethanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H41IO3 |
| InChI |
InChI=1S/C25H41IO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23(26)21-29-25(27)24(28-2)22-18-15-14-16-19-22/h14-16,18-19,23-24H,3-13,17,20-21H2,1-2H3/t23-,24+/m0/s1 |
| InChIKey |
IFSZLPYOTUOPLM-BJKOFHAPSA-N |
| Molecular Weight |
516.504 g/mol |
| SMILES |
C([C@@](c1ccccc1)(OC)[H])(OC[C@@](I)(CCCCCCCCCCCCCC)[H])=O |
| SPLASH |
splash10-0596-9300000000-8c1d2c5a83d79404dec9 |
| Source of Spectrum |
F-52-10482-12 |
| Wiley ID |
797984 |
