| SpectraBase Spectrum ID |
2Gm48lyaLIl |
| Name |
2-(Trifluoromethyl)aziridine-1,2,3-tricarboxylic acid triethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.092971722 u |
| Formula |
C12H16F3NO6 |
| InChI |
InChI=1S/C12H16F3NO6/c1-4-20-8(17)7-11(12(13,14)15,9(18)21-5-2)16(7)10(19)22-6-3/h7H,4-6H2,1-3H3 |
| InChIKey |
FXJCTUGFDFHIQR-UHFFFAOYSA-N |
| Molecular Weight |
327.256 g/mol |
| SMILES |
C1(N(C1C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976618 |
