| SpectraBase Spectrum ID |
EqdGTRO2VaW |
| Name |
NSI-189 PFP |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
512.221067003 u |
| Formula |
C25H29N4O2F5 |
| InChI |
InChI=1S/C25H29F5N4O2/c1-18(2)10-12-34(23(36)24(26,27)25(28,29)30)21-20(9-6-11-31-21)22(35)33-15-13-32(14-16-33)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3 |
| InChIKey |
YHUDDHHGABKSST-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
512.525 g/mol |
| SMILES |
C(C(C(N(c1c(cccn1)C(=O)N1CCN(CC1)Cc1ccccc1)CCC(C)C)=O)(F)F)(F)(F)F |
| SPLASH |
splash10-0006-9810000000-ae3789a85a270ba90943 |
| 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_10463 |
