| SpectraBase Compound ID | Gym86n2ljq7 |
|---|---|
| InChI | InChI=1S/C11H13NO5/c1-8(2)7-16-11(13)17-10-5-3-9(4-6-10)12(14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | WLRSOECSWRWZTI-UHFFFAOYSA-N |
| Mol Weight | 239.23 g/mol |
| Molecular Formula | C11H13NO5 |
| Exact Mass | 239.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEqdACFyip9 |
|---|---|
| Name | Carbonic acid, isobutyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.079372518 u |
| Formula | C11H13NO5 |
| InChI | InChI=1S/C11H13NO5/c1-8(2)7-16-11(13)17-10-5-3-9(4-6-10)12(14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | WLRSOECSWRWZTI-UHFFFAOYSA-N |
| Molecular Weight | 239.227 g/mol |
| SMILES | CC(COC(=O)OC1=CC=C(C=C1)N(=O)=O)C |