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1-Propyltrispiro[piperidine-4,2'-tetrahydrofuran-4',2"-tetrahydrofuran-5",4"'-tetrahydro-2H-thiopyran]
SpectraBase Compound ID CgXxrHO07Vc
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
Mol Weight 325.51 g/mol
Molecular Formula C18H31NO2S
Exact Mass 325.20755 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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