| SpectraBase Spectrum ID |
8GV6g8jivLM |
| Name |
Duloxetin 2PFP II |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
589.076946212 u |
| Formula |
C24H17F10NO3S |
| InChI |
InChI=1S/C24H17F10NO3S/c1-35(20(37)22(27,28)24(32,33)34)10-9-17(38-16-8-4-6-13-5-2-3-7-15(13)16)18-11-14(12-39-18)19(36)21(25,26)23(29,30)31/h2-8,11-12,17H,9-10H2,1H3/t17-/m0/s1 |
| InChIKey |
QVHMZDMRKBJTQB-KRWDZBQOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
589.448 g/mol |
| Nominal Mass |
589 u |
| Quality |
988 |
| Retention Index |
2515 |
| SMILES |
C(C(C=1C=C([C@@](OC=2C3=C(C=CC2)C=CC=C3)(CCN(C(C(C(F)(F)F)(F)F)=O)C)[H])SC1)=O)(C(F)(F)F)(F)F |
| SPLASH |
splash10-00xs-2690000000-ba8e35c825ece2b3b4df |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,2,3,3,3-pentafluoro-N-methyl-N-((3S)-3-(naphthalen-1-yloxy)-3-(4-(2,2,3,3,3-pentafluoropropanoyl)thiophen-2-yl)propyl)propanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011702 |
