| SpectraBase Spectrum ID |
4xK3fwLUwP7 |
| Name |
7-(.beta.-hydroxypropyl)theophylline |
| Alternate Name(s) |
Proxyphylline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H14N4O3 |
| InChI |
InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 |
| InChIKey |
KYHQZNGJUGFTGR-UHFFFAOYSA-N |
| Ionization Type |
EI-B |
| Molecular Weight |
238.247 g/mol |
| SMILES |
OC(C)C[n]1cnc2c1C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-0002-9000000000-e0926dbda27fa1f1e096 |
| Source of Spectrum |
SRH-2022-11932-0 |
| Wiley ID |
1833477 |
