| SpectraBase Compound ID | IXyA3By6rUr |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3 |
| InChIKey | OKIJSNGRQAOIGZ-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | AFbYCOspMeR |
|---|---|
| Name | Butopyronoxyl (Indalone) |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 186058 |
| CAS Registry Number | 532-34-3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3 |
| InChIKey | OKIJSNGRQAOIGZ-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 85+% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_002392 |