| SpectraBase Compound ID | LWEC9ecvoJC |
|---|---|
| InChI | InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 |
| InChIKey | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| Mol Weight | 254.25 g/mol |
| Molecular Formula | C10H14N4O4 |
| Exact Mass | 254.101505 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | KA2W0IpSqub |
|---|---|
| Name | 7-(2,3-Dihydroxypropyl)theophylline |
| Source of Sample | Aldrich |
| Catalog Number | D119407 |
| CAS Registry Number | 479-18-5 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14N4O4 |
| InChI | InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 |
| InChIKey | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| Purity | 99% |
| Wiley ID | SIAL_ATR-IR_023099 |