| SpectraBase Compound ID | LwlAEVVA9Po |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m1/s1 |
| InChIKey | ZPUCINDJVBIVPJ-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DdfWml77iDD |
|---|---|
| Name | Cocaine |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 |
| InChIKey | ZPUCINDJVBIVPJ-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 303.358 g/mol |
| SMILES | COC(=O)C1C(OC(=O)c2ccccc2)CC2N(C1CC2)C |
| SPLASH | splash10-001i-9200000000-64ab8da69bfc1f4fc85d |
| Source of Spectrum | SRH-2022-2772-0 |
| Wiley ID | 1825121 |