| SpectraBase Compound ID | ICMgdJiNLqx |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h4-7,9H,1-3H3/b5-4+ |
| InChIKey | JEHGEKPSUMDBCP-SNAWJCMRSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FhuXkaVfVrv |
|---|---|
| Name | 4-HEXENOIC ACID, 3-HYDROXY-2-METHYL-, METHYL ESTER, (R*,R*)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h4-7,9H,1-3H3/b5-4+ |
| InChIKey | JEHGEKPSUMDBCP-SNAWJCMRSA-N |
| Molecular Weight | 158.0939 |
| SMILES | OC(C(C(OC)=O)C)\C=C\C |
| SPLASH | splash10-059i-9000000000-4df447d000a032574c52 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |