| SpectraBase Compound ID | 8C4sT6wJnv9 |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-3-4-5-6-7(2)8(9)10/h3H,1-2,4-6H2,(H,9,10) |
| InChIKey | XUTSYKZLFHEKGC-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBIcaRAvdnm |
|---|---|
| Name | 2-Methylenehept-6-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-3-4-5-6-7(2)8(9)10/h3H,1-2,4-6H2,(H,9,10) |
| InChIKey | XUTSYKZLFHEKGC-UHFFFAOYSA-N |
| SMILES | C(O)(C(=C)CCCC=C)=O |