Ibuprofen.hmbc
Dataset description:
This dataset contains NMR spectra obtained for the sample -Ibuprofen isFt: false name: Ibuprofen/12 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 48,1 aqMod: 3,2 isFid: true tdOff: 0,0 title:...
Source: Ibuprofen.hmbc
Chemical Info
| InChI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
|---|---|
| SMILES | CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.280 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International |
| Id | 1118b2c6-ca5b-4600-91af-f29cae1f629b |
| Package id | nmrxiv-d3213 |
| Resource type | HTML |
| State | active |