| SpectraBase Spectrum ID |
IqtkUJudz2m |
| Name |
Sarcosine, N-(4-trifluoromethylbenzoyl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.123877930 u |
| Formula |
C15H18F3NO3 |
| InChI |
InChI=1S/C15H18F3NO3/c1-10(2)9-22-13(20)8-19(3)14(21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,8-9H2,1-3H3 |
| InChIKey |
UIRNOCRCQIEJJH-UHFFFAOYSA-N |
| Molecular Weight |
317.308 g/mol |
| SMILES |
C(CN(C(=O)C=1C=CC(C(F)(F)F)=CC1)C)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924159 |
