| SpectraBase Compound ID | JcHQMmSHLbA |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)7-4-5-10-6-7/h4-6,10H,1-3H3 |
| InChIKey | GSQXBOPBINCMTF-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 | 94AoWeXy9Px |
|---|---|
| Name | 1H-pyrrole-3-carboxylic acid tert-butyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)7-4-5-10-6-7/h4-6,10H,1-3H3 |
| InChIKey | GSQXBOPBINCMTF-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | [nH]1ccc(c1)C(=O)OC(C)(C)C |
| SPLASH | splash10-0006-9300000000-b9a6410ba6090815b3cc |
| Source of Spectrum | MZ-34-3694-3 |
| Synonyms | tert-Butyl 1H-pyrrole-3-carboxylate |
| Wiley ID | 1582659 |