| SpectraBase Compound ID | 6awwMVTaoG1 |
|---|---|
| InChI | InChI=1S/C12H14ClNO4/c1-8(14(16)17)11(7-12(15)18-2)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3 |
| InChIKey | KTOMHRIAVRUTOT-UHFFFAOYSA-N |
| Mol Weight | 271.7 g/mol |
| Molecular Formula | C12H14ClNO4 |
| Exact Mass | 271.061136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K7J1em8Rmno |
|---|---|
| Name | Methyl 3-(4-chlorophenyl)-4-nitropentanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14ClNO4 |
| InChI | InChI=1S/C12H14ClNO4/c1-8(14(16)17)11(7-12(15)18-2)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3 |
| InChIKey | KTOMHRIAVRUTOT-UHFFFAOYSA-N |
| Molecular Weight | 271.700 g/mol |
| SMILES | C(N(=O)=O)(C(CC(=O)OC)c1ccc(cc1)Cl)C |
| SPLASH | splash10-01b9-0960000000-82b4d7b36f5ca228e88b |
| Source of Spectrum | B-47-1441-0 |
| Wiley ID | 1275113 |