| SpectraBase Compound ID | BSNsNkKBSCc |
|---|---|
| InChI | InChI=1S/C10H12N2O/c11-6-9(7-13)4-8-2-1-3-10(12)5-8/h1-3,5,9,13H,4,7,12H2 |
| InChIKey | ZCARXLSIFSKJON-UHFFFAOYSA-N |
| Mol Weight | 176.22 g/mol |
| Molecular Formula | C10H12N2O |
| Exact Mass | 176.094963 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ex4XXbrWyG0 |
|---|---|
| Name | 2-(3-aminobenzyl)-3-hydroxypropanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12N2O |
| InChI | InChI=1S/C10H12N2O/c11-6-9(7-13)4-8-2-1-3-10(12)5-8/h1-3,5,9,13H,4,7,12H2 |
| InChIKey | ZCARXLSIFSKJON-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/aoc.4800 |
| Molecular Weight | 176.219 g/mol |
| SMILES | OCC(Cc1cc(ccc1)N)C#N |
| SPLASH | splash10-0a4i-0900000000-0f2490a346f97d1878c2 |
| Source of Spectrum | AOC-33-5-5_1 |
| Wiley ID | 1819304 |