| SpectraBase Compound ID | 99Z6ooXGNLK |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-6H,7H2,1-2H3/b4-3+,6-5+ |
| InChIKey | HMKDHTVLUSXSIU-VNKDHWASSA-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 | 5ZY47ijH74t |
|---|---|
| Name | HEPT-3-E,5-E-DIENOIC-ACID-METHYLESTER;KOMPONENTE-3 |
| Compound Number | 1108 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-6H,7H2,1-2H3/b4-3+,6-5+ |
| InChIKey | HMKDHTVLUSXSIU-VNKDHWASSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 140.182 g/mol |
| Sample ID | 34 |
| Solvent | CDCl3 |