| SpectraBase Spectrum ID |
L7fkcqF2jfB |
| Name |
1-Pentyl-hexobarbital |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.194342702 u |
| Formula |
C17H26N2O3 |
| InChI |
InChI=1S/C17H26N2O3/c1-4-5-9-12-19-15(21)17(2,13-10-7-6-8-11-13)14(20)18(3)16(19)22/h10H,4-9,11-12H2,1-3H3 |
| InChIKey |
LYZKVIIACCVKJV-UHFFFAOYSA-N |
| Molecular Weight |
306.406 g/mol |
| SMILES |
C1(C(C(N(C(N1C)=O)CCCCC)=O)(C1=CCCCC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981734 |
