SpectraBase Spectrum ID |
HI0vlioLD1z |
Name |
Acetamide, N-methyl-N-[4-[2-fluoromethyl-1-pyrrolidyl]-2-butynyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.148141402 u |
Formula |
C12H19FN2O |
InChI |
InChI=1S/C12H19FN2O/c1-11(16)14(2)7-3-4-8-15-9-5-6-12(15)10-13/h12H,5-10H2,1-2H3 |
InChIKey |
ZTQOQOORKLHVHC-UHFFFAOYSA-N |
Molecular Weight |
226.295 g/mol |
SMILES |
C1(CCCN1CC#CCN(C(C)=O)C)CF |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937515 |