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2C-T-16 pr

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

2C-T-16 pr
SpectraBase Compound ID 441uWN2PmPu
InChI InChI=1S/C16H25NO2S/c1-5-8-17-9-7-13-11-15(19-4)16(20-10-6-2)12-14(13)18-3/h6,11-12,17H,2,5,7-10H2,1,3-4H3
InChIKey MHUPEDPGLAWTJJ-UHFFFAOYSA-N
Mol Weight 295.44 g/mol
Molecular Formula C16H25NO2S
Exact Mass 295.1606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7KdPtfcHBP2
Name 2C-T-16 pr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.160600221 u
Formula C16H25NO2S
InChI InChI=1S/C16H25NO2S/c1-5-8-17-9-7-13-11-15(19-4)16(20-10-6-2)12-14(13)18-3/h6,11-12,17H,2,5,7-10H2,1,3-4H3
InChIKey MHUPEDPGLAWTJJ-UHFFFAOYSA-N
Molecular Weight 295.441 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCC=C)OC)CCNCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9118