| SpectraBase Compound ID | 68P9Sy8O9Bw |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h4-7H,3H2,1-2H3/b5-4+,7-6+ |
| InChIKey | GCYDJSKTCBITBG-YTXTXJHMSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 93B5S4uCi7A |
|---|---|
| Name | HEPTA-2,4-DIENOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h4-7H,3H2,1-2H3/b5-4+,7-6+ |
| InChIKey | GCYDJSKTCBITBG-YTXTXJHMSA-N |
| Molecular Weight | 140.0834 |
| SMILES | CC\C=C\C=C\C(OC)=O |
| SPLASH | splash10-03gl-9400000000-6e3b5e5b538061dc23de |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |