| SpectraBase Compound ID | mCLqqr5t0h |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16) |
| InChIKey | CANZBRDGRHNSGZ-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KfrfNQT029i |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16) |
| InChIKey | CANZBRDGRHNSGZ-UHFFFAOYSA-N |
| Molecular Weight | 251.1153 |
| SMILES | N(C(C(O)=O)C(C)C)C(=O)OCc1ccccc1 |
| SPLASH | splash10-052f-9300000000-db4c5c8c72b55177e640 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |