| SpectraBase Spectrum ID |
IYnuDUICX5K |
| Name |
2-[(trifluoromethyl)thio]-butanedioic acid 1,4-bis(phenylmethyl)ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.079964686 u |
| Formula |
C19H17F3O4S |
| InChI |
InChI=1S/C19H17F3O4S/c20-19(21,22)27-16(18(24)26-13-15-9-5-2-6-10-15)11-17(23)25-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2 |
| InChIKey |
DCTMVVLOONXJGN-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
398.396 g/mol |
| Quality |
97 |
| SMILES |
C(CC(C(OCC1=CC=CC=C1)=O)SC(F)(F)F)(OCC1=CC=CC=C1)=O |
| SPLASH |
splash10-0006-9000000000-3257eb7ff2f837687c2e |
| Source of Spectrum |
QE-22-SM20-2l (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1905007 |
![2-[(trifluoromethyl)thio]-butanedioic acid 1,4-bis(phenylmethyl)ester](/api/spectrum/IYnuDUICX5K/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-butanedioic acid 1,4-bis(phenylmethyl)ester")
