| SpectraBase Compound ID | IX7WWa5Py4M |
|---|---|
| InChI | InChI=1S/C7H9NO4/c1-11-6(9)3-5(4-8)7(10)12-2/h5H,3H2,1-2H3 |
| InChIKey | PJAMMJHRVPQDMS-UHFFFAOYSA-N |
| Mol Weight | 171.15 g/mol |
| Molecular Formula | C7H9NO4 |
| Exact Mass | 171.053158 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1MxpCvr5u6P |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C7H9NO4 |
| InChI | InChI=1S/C7H9NO4/c1-11-6(9)3-5(4-8)7(10)12-2/h5H,3H2,1-2H3 |
| InChIKey | PJAMMJHRVPQDMS-UHFFFAOYSA-N |
| Molecular Weight | 171.0529 |
| SMILES | COC(CC(C(OC)=O)C#N)=O |
| SPLASH | splash10-07vi-9200000000-fc0e05b766ed0b8168cf |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |