| SpectraBase Compound ID | 7GN9IvI3pXK |
|---|---|
| InChI | InChI=1S/C12H17NO5/c1-10(2)11(3)4-5-12(10,18-9(11)17)8(16)13-6-7(14)15/h4-6H2,1-3H3,(H,13,16)(H,14,15)/t11-,12+/m0/s1 |
| InChIKey | ZOUHNJTXYXFCQE-NWDGAFQWSA-N |
| Mol Weight | 255.27 g/mol |
| Molecular Formula | C12H17NO5 |
| Exact Mass | 255.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65fqzDOJaag |
|---|---|
| Name | (1'S,4'R)-(-)-N-camphanoylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.110672646 u |
| Formula | C12H17NO5 |
| InChI | InChI=1S/C12H17NO5/c1-10(2)11(3)4-5-12(10,18-9(11)17)8(16)13-6-7(14)15/h4-6H2,1-3H3,(H,13,16)(H,14,15)/t11-,12+/m0/s1 |
| InChIKey | ZOUHNJTXYXFCQE-NWDGAFQWSA-N |
| Molecular Weight | 255.270 g/mol |
| SMILES | [C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(NCC(=O)O)=O |