| SpectraBase Compound ID | DJVH8h0JD6N |
|---|---|
| InChI | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | YIVWQNVQRXFZJB-UHFFFAOYSA-N |
| Mol Weight | 222.2 g/mol |
| Molecular Formula | C11H10O5 |
| Exact Mass | 222.052823 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LHpM3pPS87M |
|---|---|
| Name | BENZENEBUTANOIC ACID, 2-CARBOXY-gamma-OXO- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C11H10O5 |
| InChI | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | YIVWQNVQRXFZJB-UHFFFAOYSA-N |
| Molecular Weight | 222.0525 |
| SMILES | OC(CCC(c1c(C(O)=O)cccc1)=O)=O |
| SPLASH | splash10-0002-3900000000-a9fc9b5c747484c1d088 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |