![N-{3-(heptanoylamino)-4-[(E)-phenyldiazenyl]phenyl}heptanamide](/api/spectrum/G8G1cfszPKI/structure.png?h=300&w=458 "N-{3-(heptanoylamino)-4-[(E)-phenyldiazenyl]phenyl}heptanamide")
| SpectraBase Compound ID | 7Xg7apHpyFV |
|---|---|
| InChI | InChI=1S/C26H36N4O2/c1-3-5-7-12-16-25(31)27-22-18-19-23(30-29-21-14-10-9-11-15-21)24(20-22)28-26(32)17-13-8-6-4-2/h9-11,14-15,18-20H,3-8,12-13,16-17H2,1-2H3,(H,27,31)(H,28,32)/b30-29+ |
| InChIKey | YDDGFSIPAIZZGP-QVIHXGFCSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C26H36N4O2 |
| Exact Mass | 436.283826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8G1cfszPKI |
|---|---|
| Name | N-{3-(Heptanoylamino)-4-[(E)-phenyldiazenyl]phenyl}heptanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.283826413 u |
| Formula | C26H36N4O2 |
| InChI | InChI=1S/C26H36N4O2/c1-3-5-7-12-16-25(31)27-22-18-19-23(30-29-21-14-10-9-11-15-21)24(20-22)28-26(32)17-13-8-6-4-2/h9-11,14-15,18-20H,3-8,12-13,16-17H2,1-2H3,(H,27,31)(H,28,32)/b30-29+ |
| InChIKey | YDDGFSIPAIZZGP-QVIHXGFCSA-N |
| Molecular Weight | 436.600 g/mol |
| SMILES | N(C(=O)CCCCCC)C=1C=CC(=C(C1)NC(=O)CCCCCC)\N=N\C1=CC=CC=C1 |