| SpectraBase Spectrum ID |
BYGJzeagf3Z |
| Name |
Succinic acid, 1,1,1-trifluoroprop-2-yl non-5-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.154843706 u |
| Formula |
C16H23F3O4 |
| InChI |
InChI=1S/C16H23F3O4/c1-4-6-7-8-9-13(5-2)23-15(21)11-10-14(20)22-12(3)16(17,18)19/h12-13H,4-6,9-11H2,1-3H3 |
| InChIKey |
NXANDDZCZMDUSW-UHFFFAOYSA-N |
| Molecular Weight |
336.351 g/mol |
| SMILES |
C(CC(OC(C)C(F)(F)F)=O)C(OC(CC#CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815677 |
