| SpectraBase Compound ID | HG9wIKaEnEB |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-4-9(3,6-5-7-10)12-8(2)11/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | XMMGLIMEHNSBSZ-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Tqb0cD5PDs |
|---|---|
| Name | 5-HEXENAL, 4-(ACETYLOXY)-4-METHYL-, (.+-.)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-4-9(3,6-5-7-10)12-8(2)11/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | XMMGLIMEHNSBSZ-UHFFFAOYSA-N |
| Molecular Weight | 170.0939 |
| SMILES | CC(OC(CCC=O)(C=C)C)=O |
| SPLASH | splash10-00l6-9100000000-6f155df643661678383b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |