| SpectraBase Spectrum ID |
4jqri6Mnimb |
| Name |
Pentifylline |
| CAS Registry Number |
1028-33-7 |
| Classification |
Vasodilator |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
264.158625898 u |
| Formula |
C13H20N4O2 |
| InChI |
InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3 |
| InChIKey |
MRWQRJMESRRJJB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
264.329 g/mol |
| SMILES |
C1(N(C(c2c(N1C)nc[n]2C)=O)CCCCCC)=O |
| SPLASH |
splash10-053r-4920000000-c45a23a89576d042e85a |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G U |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_836 |
