| SpectraBase Compound ID | IwGjw2BWH5a |
|---|---|
| InChI | InChI=1S/C7H15NO4/c1-4(2)7(10)6(5(3)9)8(11)12/h4-7,9-10H,1-3H3 |
| InChIKey | MHMKYCQSVYJNNY-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C7H15NO4 |
| Exact Mass | 177.100108 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7MDrbdMqrEu |
|---|---|
| Name | 2,4-HEXANEDIOL, 5-METHYL-3-NITRO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H15NO4 |
| InChI | InChI=1S/C7H15NO4/c1-4(2)7(10)6(5(3)9)8(11)12/h4-7,9-10H,1-3H3 |
| InChIKey | MHMKYCQSVYJNNY-UHFFFAOYSA-N |
| Molecular Weight | 177.0997 |
| SMILES | OC(C(C(O)C)N(=O)=O)C(C)C |
| SPLASH | splash10-0006-9000000000-8c9a4cae660c7d86e058 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |