| SpectraBase Compound ID | E5qBvh2NVRj |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3 |
| InChIKey | JECYUBVRTQDVAT-UHFFFAOYSA-N |
| Mol Weight | 136.15 g/mol |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.052429 g/mol |
| Copyright | Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Adams' Essential Oil Components (GC-MS), Version 4 |
| Copyright | Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Sample | SAFC Cat.no. W354805 |
| Source of Spectrum | Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Title | Journal or Book | Year |
|---|---|---|
| Substituent effects on deuterium isotope effects on nuclear shielding of intramolecularly hydrogen-bonded aromatic ketones, aldehydes and esters | Magnetic Resonance in Chemistry | 1993 |
| Oxygen-17 NMR spectroscopy: evaluation of intra- and intermolecular hydrogen bonding of phenols to carbonyl groups | The Journal of Organic Chemistry | 1991 |
| Intramolecular Hydrogen Bonds of the C?O?H?O Type as Studied by17O-NMR | Helvetica Chimica Acta | 1986 |
| Carbon-13 nmr shifts and C—H coupling constants of deoxybenzoins and related acetophenones | Canadian Journal of Chemistry | 1981 |
| Oxygen-17 NMR studies of substituent and hydrogen-bonding effects in substituted acetophenones and benzaldehydes | Journal of the American Chemical Society | 1981 |
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