| SpectraBase Compound ID | Lkjz2JPuQaJ |
|---|---|
| InChI | InChI=1S/C13H17NO5/c1-13(2,3)19-12(16)8-11(15)9-6-4-5-7-10(9)14(17)18/h4-7,11,15H,8H2,1-3H3/t11-/m0/s1 |
| InChIKey | KBEOTEVQKYLIAQ-NSHDSACASA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C13H17NO5 |
| Exact Mass | 267.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mJnSOGJS7x |
|---|---|
| Name | Tert-butyl 3-hydroxy-3-(2-nitrophenyl)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.110672646 u |
| Formula | C13H17NO5 |
| InChI | InChI=1S/C13H17NO5/c1-13(2,3)19-12(16)8-11(15)9-6-4-5-7-10(9)14(17)18/h4-7,11,15H,8H2,1-3H3/t11-/m0/s1 |
| InChIKey | KBEOTEVQKYLIAQ-NSHDSACASA-N |
| Molecular Weight | 267.281 g/mol |
| SMILES | C=1(N(=O)=O)C([C@](CC(OC(C)(C)C)=O)(O)[H])=CC=CC1 |