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2C-T-7 2pr

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

2C-T-7 2pr
SpectraBase Compound ID CJjM4tiM5JI
InChI InChI=1S/C19H33NO2S/c1-6-10-20(11-7-2)12-9-16-14-18(22-5)19(23-13-8-3)15-17(16)21-4/h14-15H,6-13H2,1-5H3
InChIKey RDJQOIPPPVKLFG-UHFFFAOYSA-N
Mol Weight 339.5 g/mol
Molecular Formula C19H33NO2S
Exact Mass 339.2232 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EJaOO4bjqgg
Name 2C-T-7 2pr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.223200479 u
Formula C19H33NO2S
InChI InChI=1S/C19H33NO2S/c1-6-10-20(11-7-2)12-9-16-14-18(22-5)19(23-13-8-3)15-17(16)21-4/h14-15H,6-13H2,1-5H3
InChIKey RDJQOIPPPVKLFG-UHFFFAOYSA-N
Molecular Weight 339.538 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCCC)OC)CCN(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871836