| SpectraBase Compound ID | J3lnI6kGIF9 |
|---|---|
| InChI | InChI=1S/C8H13NO4/c1-4-13-8(10)6(2)5-7(3)9(11)12/h6H,3-5H2,1-2H3 |
| InChIKey | NCCXPYIVVGFMBN-UHFFFAOYSA-N |
| Mol Weight | 187.19 g/mol |
| Molecular Formula | C8H13NO4 |
| Exact Mass | 187.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5q7MLO7CrLa |
|---|---|
| Name | 4-PENTENOIC ACID, 2-METHYL-4-NITRO-, ETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H13NO4 |
| InChI | InChI=1S/C8H13NO4/c1-4-13-8(10)6(2)5-7(3)9(11)12/h6H,3-5H2,1-2H3 |
| InChIKey | NCCXPYIVVGFMBN-UHFFFAOYSA-N |
| Molecular Weight | 187.0841 |
| SMILES | C(N(=O)=O)(CC(C(OCC)=O)C)=C |
| SPLASH | splash10-0296-9300000000-77fda6dda680a7eeaf7f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |