| SpectraBase Spectrum ID |
3VV5YoDtkbt |
| Name |
Sitagliptin AC |
| Classification |
Antidiabetic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
449.128643783 u |
| Formula |
C18H17N5O2F6 |
| InChI |
InChI=1S/C18H17F6N5O2/c1-9(30)25-11(4-10-5-13(20)14(21)7-12(10)19)6-16(31)28-2-3-29-15(8-28)26-27-17(29)18(22,23)24/h5,7,11H,2-4,6,8H2,1H3,(H,25,30) |
| InChIKey |
YGFMQPHTQKCJPI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
449.357 g/mol |
| SMILES |
C(C(CC(N1CC[n]2c(nnc2C1)C(F)(F)F)=O)NC(C)=O)c1c(cc(c(c1)F)F)F |
| SPLASH |
splash10-00dl-6930000000-040a1973c57b1fd08b55 |
| 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: P U+UHYAC |
| 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_8454 |
