3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
Compound with spectra: 27 NMR, and 2 MS (GC)
| SpectraBase Compound ID | B81TERUD4r3 |
|---|---|
| InChI | InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3 |
| InChIKey | PKLPQOJFHFGVBS-UHFFFAOYSA-N |
| Mol Weight | 168.15 g/mol |
| Molecular Formula | C8H8O4 |
| Exact Mass | 168.042259 g/mol |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | DMSO-d6 |
- PKLPQOJFHFGVBS-UHFFFAOYSA-N
- 3-ACETYL-4-HYDROXY-6-METHYL-2-PYRANON
- Dehydroacetic acid
- 3-Acetyl-4-hydroxy-6-methyl-2-pyranone
- 2H-pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
VIOLAPYRONE_A;4-HYDROXY-3-METHYL-6-(4-METHYLPENTYL)-2-H-PYRAN-2-ONE
VIOLAPYRONE_B
5-Acetyl-4-hydroxy-pyran-2,6(3H)-dione
4-(Trideuteriomethoxy)-3,6-dimethyl-2H-pyran-2-one
4-FLUORO-6-METHYL-3-(TRIFLUOROMETHYL)-2H-PYRAN-2-ONE
ZJUDDTBXZZUHKK-UHFFFAOYSA-N
2-Oxo-6-pentyl-2H-pyran-3-carboxylic acid
Ethyl (2E/Z,4E)-2-trifluoroacetyl-5-phenyl-2,4-pentadienoate
Ethyl (2E)-2-(4-Nitrobenzylidene)-3-oxobutanoate
Ethyl (2Z)-2-(4-Nitrobenzylidene)-3-oxobutanoate
| Title | Journal or Book | Year |
|---|---|---|
| 1H and13C NMR identification of unexpected 3,4-dihydroquinoxalines in the syntheses of 1,5-benzodiazepine derivatives | Magnetic Resonance in Chemistry | 2005 |
| Intramolecular hydrogen bonding and tautomerism of acylpyran-2,4-diones, -2,4,6-triones and acylpyridinediones and benzannelated derivatives. Deuterium isotope effects on 13C NMR chemical shifts | Journal of the Chemical Society, Perkin Transactions 2 | 1995 |
| 1H, 13C, and 15N nuclear magnetic resonance studies on the tautomerism of the Schiff's bases of 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione and 3,5-diacetyltetrahydropyran-2,4,6-trione | Journal of the Chemical Society, Perkin Transactions 2 | 1982 |
| Pyrones. VIII. Biosynthetic investigations of the fungal metabolite phacidin | Canadian Journal of Chemistry | 1982 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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