![1-Hexadecylbenz[cd]indol-2(1H)-one](/api/spectrum/Ge4tT5dIAGX/structure.png?h=300&w=458 "1-Hexadecylbenz[cd]indol-2(1H)-one")
| SpectraBase Compound ID | 7AwuGDvdLLb |
|---|---|
| InChI | InChI=1S/C27H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-25-21-17-19-23-18-16-20-24(26(23)25)27(28)29/h16-21H,2-15,22H2,1H3 |
| InChIKey | BDBMVFPNWNTURM-UHFFFAOYSA-N |
| Mol Weight | 393.6 g/mol |
| Molecular Formula | C27H39NO |
| Exact Mass | 393.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ge4tT5dIAGX |
|---|---|
| Name | 1-Hexadecylbenz[cd]indol-2(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.303164879 u |
| Formula | C27H39NO |
| InChI | InChI=1S/C27H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-25-21-17-19-23-18-16-20-24(26(23)25)27(28)29/h16-21H,2-15,22H2,1H3 |
| InChIKey | BDBMVFPNWNTURM-UHFFFAOYSA-N |
| Molecular Weight | 393.615 g/mol |
| SMILES | C1=CC2=C3C(=C1)C=CC=C3N(C2=O)CCCCCCCCCCCCCCCC |