| SpectraBase Compound ID | 6h4oQ2rl6GL |
|---|---|
| InChI | InChI=1S/C12H19NO5/c1-12(13(16)17,8-11(15)18-2)9-5-3-4-6-10(14)7-9/h9H,3-8H2,1-2H3 |
| InChIKey | ZEYCLLMRRBCYPD-UHFFFAOYSA-N |
| Mol Weight | 257.29 g/mol |
| Molecular Formula | C12H19NO5 |
| Exact Mass | 257.126323 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LQlP0wBy70U |
|---|---|
| Name | Methyl 3-nitro-3-(3-oxocycloheptyl)butanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H19NO5 |
| InChI | InChI=1S/C12H19NO5/c1-12(13(16)17,8-11(15)18-2)9-5-3-4-6-10(14)7-9/h9H,3-8H2,1-2H3 |
| InChIKey | ZEYCLLMRRBCYPD-UHFFFAOYSA-N |
| Molecular Weight | 257.286 g/mol |
| SMILES | C(CC(C)(C1CC(CCCC1)=O)N(=O)=O)(=O)OC |
| SPLASH | splash10-01t9-0490000000-4aa33256f3f8b4310dad |
| Source of Spectrum | F-53-11233-0 |
| Wiley ID | 803297 |