| SpectraBase Compound ID | 8CnzQ7vREgs |
|---|---|
| InChI | InChI=1S/C13H19NO3/c1-2-3-9-12(14(16)17)10-13(15)11-7-5-4-6-8-11/h4-8,12-13,15H,2-3,9-10H2,1H3 |
| InChIKey | FSJODKCCDQBLLZ-UHFFFAOYSA-N |
| Mol Weight | 237.3 g/mol |
| Molecular Formula | C13H19NO3 |
| Exact Mass | 237.136493 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5LqKLafQPXG |
|---|---|
| Name | 3-NITRO-1-PHENYLHEPTAN-1-OL |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H19NO3 |
| InChI | InChI=1S/C13H19NO3/c1-2-3-9-12(14(16)17)10-13(15)11-7-5-4-6-8-11/h4-8,12-13,15H,2-3,9-10H2,1H3 |
| InChIKey | FSJODKCCDQBLLZ-UHFFFAOYSA-N |
| Molecular Weight | 237.1360 |
| SMILES | OC(CC(CCCC)N(=O)=O)c1ccccc1 |
| SPLASH | splash10-0a6r-9700000000-4a4b5f979ccea8822939 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |