| SpectraBase Compound ID | 7gxKcQcTy1q |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3 |
| InChIKey | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kXDcerBSLw |
|---|---|
| Name | Acetoacetic acid, isopropyl ester |
| CAS Registry Number | 542-08-5 |
| Comments | WHU-1100 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3 |
| InChIKey | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
| Instrument Name | Bruker WP-80 |
| NMR Standard | TMS-PRSO3 Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Neat liquid |