| SpectraBase Compound ID | 8aiIYvbLEeY |
|---|---|
| InChI | InChI=1S/C9H12O5/c1-6(14-7(2)10)8(11)4-5-9(12)13-3/h4-6H,1-3H3/b5-4+ |
| InChIKey | IJNTWYDINNXFSD-SNAWJCMRSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C9H12O5 |
| Exact Mass | 200.068473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bd84wgp1oPJ |
|---|---|
| Name | 5-ACETOXY-4-OXOHEX-2-ENOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H12O5 |
| InChI | InChI=1S/C9H12O5/c1-6(14-7(2)10)8(11)4-5-9(12)13-3/h4-6H,1-3H3/b5-4+ |
| InChIKey | IJNTWYDINNXFSD-SNAWJCMRSA-N |
| Molecular Weight | 200.0681 |
| SMILES | CC(OC(C(\C=C\C(OC)=O)=O)C)=O |
| SPLASH | splash10-01ox-9600000000-290cca0d54dd2848311f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |