| SpectraBase Compound ID | IUNSqEF9wE8 |
|---|---|
| InChI | InChI=1S/C7H15NO3/c1-5(2)7(9)4-6(3)8(10)11/h5-7,9H,4H2,1-3H3 |
| InChIKey | KLUZTSLTWFJPRL-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C7H15NO3 |
| Exact Mass | 161.105193 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2bWftpXrdCF |
|---|---|
| Name | 3-HEXANOL, 2-METHYL-5-NITRO-, (R*,R*)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H15NO3 |
| InChI | InChI=1S/C7H15NO3/c1-5(2)7(9)4-6(3)8(10)11/h5-7,9H,4H2,1-3H3 |
| InChIKey | KLUZTSLTWFJPRL-UHFFFAOYSA-N |
| Molecular Weight | 161.1048 |
| SMILES | OC(C(C)C)CC(C)N(=O)=O |
| SPLASH | splash10-00dl-9000000000-75865e1e436599f808ca |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |