| SpectraBase Spectrum ID |
CqruRPuXL2b |
| Name |
(2R,3S,4S)-Dimethyl-3,4-dihydro-5-isopropyloxy-2-phenyl-2-trifluoromethyl-2H-pyrrole-3,4-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.129357232 u |
| Formula |
C18H20F3NO5 |
| InChI |
InChI=1S/C18H20F3NO5/c1-10(2)27-14-12(15(23)25-3)13(16(24)26-4)17(22-14,18(19,20)21)11-8-6-5-7-9-11/h5-10,12-13H,1-4H3/t12-,13+,17-/m0/s1 |
| InChIKey |
ADNVIKQRRQMKNZ-AHIWAGSCSA-N |
| Molecular Weight |
387.355 g/mol |
| SMILES |
[C@@]1([C@]([C@](C(=O)OC)(C(=N1)OC(C)C)[H])(C(=O)OC)[H])(C(F)(F)F)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818069 |
