| SpectraBase Spectrum ID |
AnY7eUQam |
| Name |
Sitagliptin PFP |
| Classification |
Antidiabetic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
553.097184502 u |
| Formula |
C19H14N5O2F11 |
| InChI |
InChI=1S/C19H14F11N5O2/c20-10-6-12(22)11(21)4-8(10)3-9(31-16(37)17(23,24)19(28,29)30)5-14(36)34-1-2-35-13(7-34)32-33-15(35)18(25,26)27/h4,6,9H,1-3,5,7H2,(H,31,37) |
| InChIKey |
USIOAUUYRAQLNJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
553.336 g/mol |
| SMILES |
C(c1c(cc(c(c1)F)F)F)C(CC(N1CC[n]2c(C1)nnc2C(F)(F)F)=O)NC(C(F)(F)C(F)(F)F)=O |
| SPLASH |
splash10-00kf-5910000000-654d5109ee9a4ea0b246 |
| 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_8456 |
