| SpectraBase Compound ID | BRCi0MrlpIw |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-2-12-9(11)10-7-5-3-4-6-8-10/h5-8H,2-4H2,1H3 |
| InChIKey | DABPLKPFODFOGU-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3kaZK45ume |
|---|---|
| Name | 1-Ethoxycarbonyl-4,5-dihydroazepine |
| Alternate Name(s) | Ethyl 4,5-dihydro-1H-azepine-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-2-12-9(11)10-7-5-3-4-6-8-10/h5-8H,2-4H2,1H3 |
| InChIKey | DABPLKPFODFOGU-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C(N1C=CCCC=C1)(=O)OCC |
| SPLASH | splash10-014l-4900000000-7119c7d7e129af156f15 |
| Source of Spectrum | KC-0-610-18 |
| Wiley ID | 827520 |