| SpectraBase Compound ID | CLbtZSjll35 |
|---|---|
| InChI | InChI=1S/C8H17NO3/c1-4-7(9(11)12)5-8(10)6(2)3/h6-8,10H,4-5H2,1-3H3 |
| InChIKey | UTRUJYJHKKIORJ-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C8H17NO3 |
| Exact Mass | 175.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GXHtOyNxBds |
|---|---|
| Name | 3-HEPTANOL, 2-METHYL-5-NITRO-, (R*,R*)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H17NO3 |
| InChI | InChI=1S/C8H17NO3/c1-4-7(9(11)12)5-8(10)6(2)3/h6-8,10H,4-5H2,1-3H3 |
| InChIKey | UTRUJYJHKKIORJ-UHFFFAOYSA-N |
| Molecular Weight | 175.1204 |
| SMILES | OC(C(C)C)CC(N(=O)=O)CC |
| SPLASH | splash10-0avl-9100000000-90a0fe4c44830b2ce9ac |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |