SpectraBase Spectrum ID |
88Gnx2DjJIc |
Name |
1-Propyltrispiro[piperidine-4,2'-tetrahydrofuran-4',2''-tetrahydrofuran-5'',4'''-tetrahydro-2H-thiopyran] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
325.207550414 u |
Formula |
C18H31NO2S |
InChI |
InChI=1S/C18H31NO2S/c1-2-9-19-10-5-17(6-11-19)14-18(15-20-17)4-3-16(21-18)7-12-22-13-8-16/h2-15H2,1H3 |
InChIKey |
XZTPGBZHDKVPMM-UHFFFAOYSA-N |
Molecular Weight |
325.511 g/mol |
SMILES |
C12(OC3(CCSCC3)CC1)CC1(CCN(CC1)CCC)OC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958015 |