| SpectraBase Compound ID | 2KQSZstOX7m |
|---|---|
| InChI | InChI=1S/C6H6O2/c1-3-4-5-6(7)8-2/h1,4-5H,2H3/b5-4+ |
| InChIKey | AHMIYBXPGOFGQT-SNAWJCMRSA-N |
| Mol Weight | 110.11 g/mol |
| Molecular Formula | C6H6O2 |
| Exact Mass | 110.036779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PHo2GLhba |
|---|---|
| Name | trans-Pent-2-en-4-yn-oic acid, methyl ester |
| CAS Registry Number | 41345-43-1 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C6H6O2 |
| InChI | InChI=1S/C6H6O2/c1-3-4-5-6(7)8-2/h1,4-5H,2H3/b5-4+ |
| InChIKey | AHMIYBXPGOFGQT-SNAWJCMRSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | M.T. Hearn, J.L. Turner, J. Chem. Soc. Perkin II 1027 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |