| SpectraBase Compound ID | 3df5tG4HQN5 |
|---|---|
| InChI | InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) |
| InChIKey | PJFMAVHETLRJHJ-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C13H12N4O2 |
| Exact Mass | 256.096026 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ENkbkbbv2bK |
|---|---|
| Name | 8-Phenyltheophylline |
| Catalog Number | 227161 |
| Brand | ALDRICH |
| CAS Registry Number | 961-45-5 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H12N4O2 |
| Formula (reported) | C13H12N4O2 |
| InChI | InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) |
| InChIKey | PJFMAVHETLRJHJ-UHFFFAOYSA-N |
| Purity | 98% |
| Wiley ID | SIAL_RAMAN_005255 |