| SpectraBase Compound ID | KG3pZeKOyJW |
|---|---|
| InChI | InChI=1S/C7H12O5/c1-7(2,6(11)12-3)4(8)5(9)10/h4,8H,1-3H3,(H,9,10) |
| InChIKey | MWNYKRXVDPDCRM-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C7H12O5 |
| Exact Mass | 176.068473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BJZhfgt9vVq |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H9O5D3 |
| InChI | InChI=1S/C7H12O5/c1-7(2,6(11)12-3)4(8)5(9)10/h4,8H,1-3H3,(H,9,10) |
| InChIKey | MWNYKRXVDPDCRM-UHFFFAOYSA-N |
| Molecular Weight | 176.0681 |
| SMILES | OC(C(C(C)(C)C(OC)=O)O)=O |
| SPLASH | splash10-0zna-9600000000-211778391b98c66aa8da |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |