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2C-T-16 2All

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2C-T-16 2All
SpectraBase Compound ID 8eV7syYwS1J
InChI InChI=1S/C19H27NO2S/c1-6-10-20(11-7-2)12-9-16-14-18(22-5)19(23-13-8-3)15-17(16)21-4/h6-8,14-15H,1-3,9-13H2,4-5H3
InChIKey OSIHNUFDSIMETD-UHFFFAOYSA-N
Mol Weight 333.49 g/mol
Molecular Formula C19H27NO2S
Exact Mass 333.17625 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4HnJ8f47Yic
Name 2C-T-16 2All
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.176250285 u
Formula C19H27NO2S
InChI InChI=1S/C19H27NO2S/c1-6-10-20(11-7-2)12-9-16-14-18(22-5)19(23-13-8-3)15-17(16)21-4/h6-8,14-15H,1-3,9-13H2,4-5H3
InChIKey OSIHNUFDSIMETD-UHFFFAOYSA-N
Molecular Weight 333.490 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCC=C)OC)CCN(CC=C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874778