| SpectraBase Spectrum ID |
36jaDjWzCWz |
| Name |
benzeneacetic acid, .alpha.-methoxy-.alpha.-[trifluoromethyl)-, 3,5-dihydroxy-2-methyl-pentyl-2-d ester,[2S-[1(S*),2R*,3S*]] |
| CAS Registry Number |
100605-17-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20DF3O5 |
| InChI |
InChI=1S/C16H21F3O5/c1-11(13(21)8-9-20)10-24-14(22)15(23-2,16(17,18)19)12-6-4-3-5-7-12/h3-7,11,13,20-21H,8-10H2,1-2H3/t11-,13+,15+/m1/s1/i11D |
| InChIKey |
SQOIYWJJZLVJLC-DVISTPGZSA-N |
| Molecular Weight |
351.340 g/mol |
| SMILES |
OCC[C@@]([C@@](COC([C@](C(F)(F)F)(c1ccccc1)OC)=O)(C)[2D])(O)[H] |
| SPLASH |
splash10-000i-0900000000-7ba8eb28f0b828ac06e8 |
| Source of Spectrum |
J-51-1078-12 |
| Wiley ID |
1341756 |
![benzeneacetic acid, .alpha.-methoxy-.alpha.-[trifluoromethyl)-, 3,5-dihydroxy-2-methyl-pentyl-2-d ester,[2S-[1(S*),2R*,3S*]]](/api/spectrum/36jaDjWzCWz/structure.png?h=300&w=458 "benzeneacetic acid, .alpha.-methoxy-.alpha.-[trifluoromethyl)-, 3,5-dihydroxy-2-methyl-pentyl-2-d ester,[2S-[1(S*),2R*,3S*]]")
