| SpectraBase Spectrum ID |
KM35eGGeHnp |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-(3-methylbutyl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.235479240 u |
| Formula |
C15H31NO2 |
| InChI |
InChI=1S/C15H31NO2/c1-7-8-14(6)16(10-9-12(2)3)15(17)18-11-13(4)5/h12-14H,7-11H2,1-6H3 |
| InChIKey |
DTBVHOOHADPGTI-UHFFFAOYSA-N |
| Molecular Weight |
257.418 g/mol |
| SMILES |
CCCC(C)N(C(OCC(C)C)=O)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980321 |
