| SpectraBase Spectrum ID |
IomdPzeVHKJ |
| Name |
7-(2,3-Dihydroxypropyl)theophylline |
| Comments |
MONAID: JP011934 |
| Copyright |
Copyright © 2020-2024 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 |
| Ionization Type |
EI-B |
| Molecular Weight |
254.246 g/mol |
| SMILES |
OCC(O)C[n]1cnc2c1C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-001i-9000000000-9a1c4e60eecf01f5b63f |
| Source of Spectrum |
SRH-2022-11934-0 |
| Synonyms |
Dyphylline |
| Wiley ID |
1833479 |
