![2-Hydroxy-5-(6-nitro-1H-benzo[D]imidazol-2-yl)-benzoyl his-pro-leu-gly dev](/api/spectrum/IqcH7PdCPI4/structure.png?h=300&w=458 "2-Hydroxy-5-(6-nitro-1H-benzo[D]imidazol-2-yl)-benzoyl his-pro-leu-gly dev")
| SpectraBase Compound ID | 7qxWjhD5P2Q |
|---|---|
| InChI | InChI=1S/C34H39N9O9/c1-18(2)11-25(32(47)36-16-29(45)52-3)40-33(48)27-5-4-10-42(27)34(49)26(13-20-15-35-17-37-20)41-31(46)22-12-19(6-9-28(22)44)30-38-23-8-7-21(43(50)51)14-24(23)39-30/h6-9,12,14-15,17-18,25-27,44H,4-5,10-11,13,16H2,1-3H3,(H,35,37)(H,36,47)(H,38,39)(H,40,48)(H,41,46) |
| InChIKey | FOQCPXQLOJKIGL-UHFFFAOYSA-N |
| Mol Weight | 717.7 g/mol |
| Molecular Formula | C34H39N9O9 |
| Exact Mass | 717.287074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqcH7PdCPI4 |
|---|---|
| Name | 2-Hydroxy-5-(6-nitro-1H-benzo[D]imidazol-2-yl)-benzoyl his-pro-leu-gly dev |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 717.287073863 u |
| Formula | C34H39N9O9 |
| InChI | InChI=1S/C34H39N9O9/c1-18(2)11-25(32(47)36-16-29(45)52-3)40-33(48)27-5-4-10-42(27)34(49)26(13-20-15-35-17-37-20)41-31(46)22-12-19(6-9-28(22)44)30-38-23-8-7-21(43(50)51)14-24(23)39-30/h6-9,12,14-15,17-18,25-27,44H,4-5,10-11,13,16H2,1-3H3,(H,35,37)(H,36,47)(H,38,39)(H,40,48)(H,41,46) |
| InChIKey | FOQCPXQLOJKIGL-UHFFFAOYSA-N |
| Molecular Weight | 717.740 g/mol |
| SMILES | C(N1C(C(NC(C(NCC(=O)OC)=O)CC(C)C)=O)CCC1)(C(NC(C1=CC(C2=NC3=CC=C(N(=O)=O)C=C3N2)=CC=C1O)=O)CC=1N=CNC1)=O |