| SpectraBase Compound ID | 2Cw5RICCWlv |
|---|---|
| InChI | InChI=1S/C12H12N2O5/c1-12(11(15)18-2)7-10(13-19-12)8-4-3-5-9(6-8)14(16)17/h3-6H,7H2,1-2H3 |
| InChIKey | NPWFOQHBFJCEPU-UHFFFAOYSA-N |
| Mol Weight | 264.24 g/mol |
| Molecular Formula | C12H12N2O5 |
| Exact Mass | 264.074621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLhZGmDTWdX |
|---|---|
| Name | Methyl 3-(3-nitrophenyl)-5-methyl-4,5-dihydroisoxazolin-5-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.074621489 u |
| Formula | C12H12N2O5 |
| InChI | InChI=1S/C12H12N2O5/c1-12(11(15)18-2)7-10(13-19-12)8-4-3-5-9(6-8)14(16)17/h3-6H,7H2,1-2H3 |
| InChIKey | NPWFOQHBFJCEPU-UHFFFAOYSA-N |
| Molecular Weight | 264.237 g/mol |
| SMILES | C1(=NOC(C1)(C(=O)OC)C)C=1C=C(C=CC1)N(=O)=O |