| SpectraBase Spectrum ID |
JdTD2kWB8j8 |
| Name |
N,o-di-tfa Serine N-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.069791496 u |
| Formula |
C11H13F6NO5 |
| InChI |
InChI=1S/C11H13F6NO5/c1-2-3-4-22-7(19)6(18-8(20)10(12,13)14)5-23-9(21)11(15,16)17/h6H,2-5H2,1H3,(H,18,20)/t6-/m0/s1 |
| InChIKey |
ZEHWTIUXPNKBDN-LURJTMIESA-N |
| Molecular Weight |
353.217 g/mol |
| SMILES |
C(C(N[C@](C(=O)OCCCC)(COC(C(F)(F)F)=O)[H])=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808271 |
