| SpectraBase Spectrum ID |
L4zguJFORJ3 |
| Name |
(3-Trifluoromethylbenzoyl)carbamic acid, 1,1-dioxo-tetrahydro-1.lambda.(6)-thiophen-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.038828148 u |
| Formula |
C13H12F3NO5S |
| InChI |
InChI=1S/C13H12F3NO5S/c14-13(15,16)9-3-1-2-8(6-9)11(18)17-12(19)22-10-4-5-23(20,21)7-10/h1-3,6,10H,4-5,7H2,(H,17,18,19) |
| InChIKey |
SPSNEFVEHWOZNF-UHFFFAOYSA-N |
| Molecular Weight |
351.296 g/mol |
| SMILES |
C1=CC(C(F)(F)F)=CC(=C1)C(NC(OC1CS(CC1)(=O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903543 |
