| SpectraBase Spectrum ID |
8GZIuhvJ59c |
| Name |
Pantothenicacid 3TMS |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
435.229253024 u |
| Formula |
C18H41NO5Si3 |
| InChI |
InChI=1S/C18H41NO5Si3/c1-18(2,14-22-25(3,4)5)16(24-27(9,10)11)17(21)19-13-12-15(20)23-26(6,7)8/h16H,12-14H2,1-11H3,(H,19,21) |
| InChIKey |
PQFJBMOEKCYOJR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
435.783 g/mol |
| Nominal Mass |
435 u |
| Quality |
993 |
| Retention Index |
3028 |
| SMILES |
C(C(CO[Si](C)(C)C)(C)C)(C(NCCC(O[Si](C)(C)C)=O)=O)O[Si](C)(C)C |
| SPLASH |
splash10-0kmi-5930000000-0293e17e101e80bad72a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl 3-((3,3-dimethyl-2,4-bis((trimethylsilyl)oxy)butanoyl)amino)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029869 |
![3-[[3,3-dimethyl-1-oxo-2,4-bis(trimethylsilyloxy)butyl]amino]propanoic acid trimethylsilyl ester](/api/spectrum/8GZIuhvJ59c/structure.png?h=300&w=458 "3-[[3,3-dimethyl-1-oxo-2,4-bis(trimethylsilyloxy)butyl]amino]propanoic acid trimethylsilyl ester")
