| SpectraBase Compound ID | SzhVjDbuX5 |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-12(2)13(3,18-17-12)9-16-11(15)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,15) |
| InChIKey | KVOHYSDNHFISSP-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5eaV8IZ0dGu |
|---|---|
| Name | Carbamic acid, phenyl-, (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-12(2)13(3,18-17-12)9-16-11(15)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,15) |
| InChIKey | KVOHYSDNHFISSP-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C1(OOC1(COC(NC1=CC=CC=C1)=O)C)(C)C |