| SpectraBase Compound ID | 8JKosSKY4cd |
|---|---|
| InChI | InChI=1S/C13H13NO4/c1-3-17-13(15)18-12-8-9(2)14(16)11-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3 |
| InChIKey | ISHXUVRRMQRACA-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HodIOolyc1K |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c1-3-17-13(15)18-12-8-9(2)14(16)11-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3 |
| InChIKey | ISHXUVRRMQRACA-UHFFFAOYSA-N |
| Molecular Weight | 247.0841 |
| SMILES | c12ccccc1c(OC(OCC)=O)cc(C)n2=O |
| SPLASH | splash10-0a6r-6900000000-42412140f6c84bd227f7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |