SpectraBase Spectrum ID |
6Wzk8pN8CZf |
Name |
4-Aminobutyramide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.184112372 u |
Formula |
C13H23N3O |
InChI |
InChI=1S/C13H23N3O/c1-15(13(17)7-6-8-14)9-2-3-10-16-11-4-5-12-16/h4-12,14H2,1H3 |
InChIKey |
JOOZBPJGFIAYGB-UHFFFAOYSA-N |
Molecular Weight |
237.347 g/mol |
SMILES |
C1CN(CC#CCN(C)C(CCCN)=O)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810013 |