| SpectraBase Spectrum ID |
BDUsY4Rn9wt |
| Name |
2,2-Pyrrolidinedicarboxylic acid, 3-(2-ethoxy-2-oxoethyl)-4-(1-methylethenyl)-1-(trifluoroacetyl)-, diethyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.166136663 u |
| Formula |
C19H26F3NO7 |
| InChI |
InChI=1S/C19H26F3NO7/c1-6-28-14(24)9-13-12(11(4)5)10-23(15(25)19(20,21)22)18(13,16(26)29-7-2)17(27)30-8-3/h12-13H,4,6-10H2,1-3,5H3/t12-,13-/m1/s1 |
| InChIKey |
VCXVOHHMDNTRHZ-CHWSQXEVSA-N |
| Molecular Weight |
437.412 g/mol |
| SMILES |
C1(N(C(C(F)(F)F)=O)C[C@@]([C@]1(CC(=O)OCC)[H])(C(=C)C)[H])(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951122 |
