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2C-T-19 pr

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

2C-T-19 pr
SpectraBase Compound ID 28MctEU5MEJ
InChI InChI=1S/C17H29NO2S/c1-5-7-11-21-17-13-15(19-3)14(12-16(17)20-4)8-10-18-9-6-2/h12-13,18H,5-11H2,1-4H3
InChIKey LJCAKKMBZXAFQA-UHFFFAOYSA-N
Mol Weight 311.48 g/mol
Molecular Formula C17H29NO2S
Exact Mass 311.1919 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3YPEbzuTmbD
Name 2C-T-19 pr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.191900350 u
Formula C17H29NO2S
InChI InChI=1S/C17H29NO2S/c1-5-7-11-21-17-13-15(19-3)14(12-16(17)20-4)8-10-18-9-6-2/h12-13,18H,5-11H2,1-4H3
InChIKey LJCAKKMBZXAFQA-UHFFFAOYSA-N
Molecular Weight 311.484 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCCCC)OC)CCNCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935646