![[(1H-benzimidazol-2-ylamino)-phosphonomethyl]phosphonic acid](/api/spectrum/I5f9c6qg5Pd/structure.png?h=300&w=458 "[(1H-benzimidazol-2-ylamino)-phosphonomethyl]phosphonic acid")
| SpectraBase Compound ID | 2htyukU8eux |
|---|---|
| InChI | InChI=1S/C8H11N3O6P2/c12-18(13,14)8(19(15,16)17)11-7-9-5-3-1-2-4-6(5)10-7/h1-4,8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17) |
| InChIKey | HFMIJJQDYXCDRR-UHFFFAOYSA-N |
| Mol Weight | 307.14 g/mol |
| Molecular Formula | C8H11N3O6P2 |
| Exact Mass | 307.012309 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5f9c6qg5Pd |
|---|---|
| Name | [(1H-Benzimidazol-2-ylamino)-phosphonomethyl]phosphonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.012309076 u |
| Formula | C8H11N3O6P2 |
| InChI | InChI=1S/C8H11N3O6P2/c12-18(13,14)8(19(15,16)17)11-7-9-5-3-1-2-4-6(5)10-7/h1-4,8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17) |
| InChIKey | HFMIJJQDYXCDRR-UHFFFAOYSA-N |
| Molecular Weight | 307.139 g/mol |
| Nominal Mass | 307 u |
| SMILES | C=1(NC=2C(N1)=CC=CC2)NC(P(=O)(O)O)P(=O)(O)O |