| SpectraBase Spectrum ID |
4T66pP7LsW |
| Name |
2,3,6,7-Tetramethyl-2-[(4-hydroxy-3-methyl)butyl]bicyclo[4.4.0]decane (S)-MTPA ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H45F3O4 |
| InChI |
InChI=1S/C19H36O.C10H9F3O3/c1-14(13-20)9-11-18(4)16(3)10-12-19(5)15(2)7-6-8-17(18)19;1-16-8(9(14)15)6-4-2-3-5-7(6)10(11,12)13/h14-17,20H,6-13H2,1-5H3;2-5,8H,1H3,(H,14,15)/t14-,15?,16-,17-,18+,19-;/m0./s1 |
| InChIKey |
OVVRUEYLAVQPCA-ZTBAKNRPSA-N |
| Molecular Weight |
514.670 g/mol |
| SMILES |
OC(C(c1c(C(F)(F)F)cccc1)OC)=O.OC[C@](CC[C@]1([C@]2([C@@](CC[C@@]1(C)[H])(C(CCC2)C)C)[H])C)(C)[H] |
| SPLASH |
splash10-0aor-0090000000-f074037d58414c54d01c |
| Source of Spectrum |
JA-50-1137-13 |
| Synonyms |
2,3,6,7-Tetramethyl-2-[(4-hydroxy-3-methyl)butyl]bicyclo[4.4.0]decane MTPA ester |
| Wiley ID |
1401141 |
![2,3,6,7-Tetramethyl-2-[(4-hydroxy-3-methyl)butyl]bicyclo[4.4.0]decane (S)-MTPA ester](/api/spectrum/4T66pP7LsW/structure.png?h=300&w=458 "2,3,6,7-Tetramethyl-2-[(4-hydroxy-3-methyl)butyl]bicyclo[4.4.0]decane (S)-MTPA ester")
