| SpectraBase Spectrum ID |
Ci0XZ0oUacZ |
| Name |
Roxatidine PFP |
| Classification |
H2-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
452.173448104 u |
| Formula |
C20H25F5N2O4 |
| InChI |
InChI=1S/C20H25F5N2O4/c21-19(22,20(23,24)25)18(29)31-14-17(28)26-8-5-11-30-16-7-4-6-15(12-16)13-27-9-2-1-3-10-27/h4,6-7,12H,1-3,5,8-11,13-14H2,(H,26,28) |
| InChIKey |
JTQIWZWKLSXWEX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
452.422 g/mol |
| SMILES |
C(C(F)(F)F)(C(OCC(=O)NCCCOc1cc(CN2CCCCC2)ccc1)=O)(F)F |
| SPLASH |
splash10-03e9-9350000000-4c55dfa50939b36d6b87 |
| 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. |
| 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_4199 |
