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2C-T-16 ac

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

2C-T-16 ac
SpectraBase Compound ID 1hqfCL9DI0u
InChI InChI=1S/C15H21NO3S/c1-5-8-20-15-10-13(18-3)12(9-14(15)19-4)6-7-16-11(2)17/h5,9-10H,1,6-8H2,2-4H3,(H,16,17)
InChIKey DAUMFTIXOBZHPJ-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C15H21NO3S
Exact Mass 295.124215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7aD0ha2jeWA
Name 2C-T-16 ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.124214711 u
Formula C15H21NO3S
InChI InChI=1S/C15H21NO3S/c1-5-8-20-15-10-13(18-3)12(9-14(15)19-4)6-7-16-11(2)17/h5,9-10H,1,6-8H2,2-4H3,(H,16,17)
InChIKey DAUMFTIXOBZHPJ-UHFFFAOYSA-N
Molecular Weight 295.397 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCC=C)OC)CCNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957384