SpectraBase Compound ID | 7BJ9rnsKGbC |
---|---|
InChI | InChI=1S/C12H23NO/c1-4-5-6-7-8-12(14)13-10-9-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,13,14)/b8-7+ |
InChIKey | DWOQCPIDBBUXNL-BQYQJAHWSA-N |
Mol Weight | 197.32 g/mol |
Molecular Formula | C12H23NO |
Exact Mass | 197.177964 g/mol |
SpectraBase Spectrum ID | IVDWu6ZeOCZ |
---|---|
Name | Hept-2-enoylamide, N-3-methylbutyl- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 197.177964364 u |
Formula | C12H23NO |
InChI | InChI=1S/C12H23NO/c1-4-5-6-7-8-12(14)13-10-9-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,13,14)/b8-7+ |
InChIKey | DWOQCPIDBBUXNL-BQYQJAHWSA-N |
Molecular Weight | 197.322 g/mol |
SMILES | C(=O)(NCCC(C)C)\C=C\CCCC |