| SpectraBase Compound ID | FkSLyEd3mJt |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h3-6,8H,1-2H3,(H,9,10)/b4-3+ |
| InChIKey | SQUOZVNDNZXWDR-ONEGZZNKSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1wJgSFKloD1 |
|---|---|
| Name | 3-HEXENOIC ACID, 5-HYDROXY-2-METHYL-, [R*,R*-(E)]- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h3-6,8H,1-2H3,(H,9,10)/b4-3+ |
| InChIKey | SQUOZVNDNZXWDR-ONEGZZNKSA-N |
| Molecular Weight | 144.0783 |
| SMILES | OC(C(\C=C\C(O)C)C)=O |
| SPLASH | splash10-006x-9000000000-7267eafd76776eefa107 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |