| SpectraBase Compound ID | CGEENlexCgb |
|---|---|
| InChI | InChI=1S/C8H18N2O2/c1-12-8(11)7(10)5-3-2-4-6-9/h7H,2-6,9-10H2,1H3 |
| InChIKey | SGIVSYZIYSEDKA-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C8H18N2O2 |
| Exact Mass | 174.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eeVfIFplYs |
|---|---|
| Name | 2,7-Diaminoheptanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.136827826 u |
| Formula | C8H18N2O2 |
| InChI | InChI=1S/C8H18N2O2/c1-12-8(11)7(10)5-3-2-4-6-9/h7H,2-6,9-10H2,1H3 |
| InChIKey | SGIVSYZIYSEDKA-UHFFFAOYSA-N |
| Molecular Weight | 174.244 g/mol |
| SMILES | C(=O)(C(N)CCCCCN)OC |