![(2R)-2-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]-3-phenylpropanoic acid methyl ester](/api/spectrum/EfPqyFOgBgs/structure.png?h=300&w=458 "(2R)-2-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]-3-phenylpropanoic acid methyl ester")
| SpectraBase Compound ID | 7Yk2jdEnQRh |
|---|---|
| InChI | InChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1 |
| InChIKey | AXUYKQYDXYCOFL-OAHLLOKOSA-N |
| Mol Weight | 350.42 g/mol |
| Molecular Formula | C18H26N2O5 |
| Exact Mass | 350.184172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfPqyFOgBgs |
|---|---|
| Name | (2R)-2-[[8-(Hydroxyamino)-1,8-dioxooctyl]amino]-3-phenylpropanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.184171940 u |
| Formula | C18H26N2O5 |
| InChI | InChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1 |
| InChIKey | AXUYKQYDXYCOFL-OAHLLOKOSA-N |
| Molecular Weight | 350.415 g/mol |
| SMILES | [C@](C(=O)OC)(NC(=O)CCCCCCC(=O)NO)(CC1=CC=CC=C1)[H] |