| SpectraBase Spectrum ID |
10KO5s2BS3v |
| Name |
NSI-189 HFB |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
562.217873329 u |
| Formula |
C26H29N4O2F7 |
| InChI |
InChI=1S/C26H29F7N4O2/c1-18(2)10-12-37(23(39)24(27,28)25(29,30)26(31,32)33)21-20(9-6-11-34-21)22(38)36-15-13-35(14-16-36)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3 |
| InChIKey |
JTGKEWVUMVCRGP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
562.533 g/mol |
| SMILES |
C(C(C(C(N(c1c(cccn1)C(N1CCN(CC1)Cc1ccccc1)=O)CCC(C)C)=O)(F)F)(F)F)(F)(F)F |
| SPLASH |
splash10-0007-5912000000-e4040bccd901eea8c5a5 |
| 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_10464 |
