| SpectraBase Compound ID | GVm0BWoCZqs |
|---|---|
| InChI | InChI=1S/C12H13NO5/c1-18-12(15)10-8-5-3-2-4-7(8)6-9(11(10)14)13(16)17/h6,14H,2-5H2,1H3 |
| InChIKey | RDEAYQFBOCIQOC-UHFFFAOYSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C12H13NO5 |
| Exact Mass | 251.079373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2D96V5j674E |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H13NO5 |
| InChI | InChI=1S/C12H13NO5/c1-18-12(15)10-8-5-3-2-4-7(8)6-9(11(10)14)13(16)17/h6,14H,2-5H2,1H3 |
| InChIKey | RDEAYQFBOCIQOC-UHFFFAOYSA-N |
| Molecular Weight | 251.0790 |
| SMILES | Oc1c(c2c(cc1N(=O)=O)CCCC2)C(OC)=O |
| SPLASH | splash10-01b9-7980000000-31edeb04334d511e5582 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |