| SpectraBase Spectrum ID |
HL3iKai5l2h |
| Name |
7-(Acetamido)heptamide, 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 |
321.241627248 u |
| Formula |
C18H31N3O2 |
| InChI |
InChI=1S/C18H31N3O2/c1-17(22)19-12-6-4-3-5-11-18(23)20(2)13-7-8-14-21-15-9-10-16-21/h3-6,9-16H2,1-2H3,(H,19,22) |
| InChIKey |
LXUFGMQKLRTPTK-UHFFFAOYSA-N |
| Molecular Weight |
321.465 g/mol |
| SMILES |
C1N(CCC1)CC#CCN(C)C(CCCCCCNC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845145 |
![7-(Acetamido)heptamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-](/api/spectrum/HL3iKai5l2h/structure.png?h=300&w=458 "7-(Acetamido)heptamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-")
