| SpectraBase Compound ID | 2xADiucJcbx |
|---|---|
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3 |
| InChIKey | LPHGQDQBBGAPDZ-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C8H10N4O2 |
| Exact Mass | 194.080376 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 8uZ5TO5WcBr |
|---|---|
| Name | 1,3,7-Trimethylxanthine |
| Source of Sample | Pharmaceutical Institute, University of Bern |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H10N4O2 |
| Hummel Decimal Number | 184216341 |
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3 |
| InChIKey | LPHGQDQBBGAPDZ-UHFFFAOYSA-N |
| Optical Properties | Index of Refraction= 1.651 |
| Sample Description | Colorless solid |
| Synonyms | Caffeine |
| Technique | KBr pellet |