SpectraBase Spectrum ID |
GWr7Ukkvnai |
Name |
Pipamperone 2TMS |
Classification |
Pharmaceutical drug, tranquiliser |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
519.311258964 u |
Formula |
C27H46FN3O2Si2 |
InChI |
InChI=1S/C27H46FN3O2Si2/c1-34(2,3)29-26(32)27(31-19-8-7-9-20-31)16-21-30(22-17-27)18-10-11-25(33-35(4,5)6)23-12-14-24(28)15-13-23/h11-15H,7-10,16-22H2,1-6H3,(H,29,32)/b25-11- |
InChIKey |
TYBLITPQEZGSNQ-GATIEOLUSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
519.852 g/mol |
Nominal Mass |
519 u |
Quality |
995 |
Retention Index |
3078 |
SMILES |
C1(C(N[Si](C)(C)C)=O)(N2CCCCC2)CCN(CC1)CC\C=C\(C=1C=CC(=CC1)F)O[Si](C)(C)C |
SPLASH |
splash10-0229-6970100000-7dcbdb7a25a814993d36 |
Sample Comments |
TMS position uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1'-((3Z)-4-(4-fluorophenyl)-4-((trimethylsilyl)oxy)but-3-en-1-yl)-N-(trimethylsilyl)[1,4'-bipiperidine]-4'-\rcarboxamide |
Technique |
GC/MS |
Wiley ID |
DD2024_009827 |