SpectraBase Compound ID | JmjODP22WxX |
---|---|
InChI | InChI=1S/C10H21NO/c1-6-7-9(4)11(5)10(12)8(2)3/h8-9H,6-7H2,1-5H3 |
InChIKey | IEXTZCXERIVQAP-UHFFFAOYSA-N |
Mol Weight | 171.28 g/mol |
Molecular Formula | C10H21NO |
Exact Mass | 171.162314 g/mol |
SpectraBase Spectrum ID | L1HNlqF8Mgu |
---|---|
Name | Isobutyramide, N-(2-pentyl)-N-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 171.162314299 u |
Formula | C10H21NO |
InChI | InChI=1S/C10H21NO/c1-6-7-9(4)11(5)10(12)8(2)3/h8-9H,6-7H2,1-5H3 |
InChIKey | IEXTZCXERIVQAP-UHFFFAOYSA-N |
Molecular Weight | 171.284 g/mol |
SMILES | CN(C(CCC)C)C(=O)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967564 |