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2C-T-3 ac

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

2C-T-3 ac
SpectraBase Compound ID 5WWctseQvv6
InChI InChI=1S/C16H23NO3S/c1-11(2)10-21-16-9-14(19-4)13(8-15(16)20-5)6-7-17-12(3)18/h8-9H,1,6-7,10H2,2-5H3,(H,17,18)
InChIKey FBQNGIYPHLVLRI-UHFFFAOYSA-N
Mol Weight 309.42 g/mol
Molecular Formula C16H23NO3S
Exact Mass 309.139865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AUI3vKqG2fp
Name 2C-T-3 ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.139864776 u
Formula C16H23NO3S
InChI InChI=1S/C16H23NO3S/c1-11(2)10-21-16-9-14(19-4)13(8-15(16)20-5)6-7-17-12(3)18/h8-9H,1,6-7,10H2,2-5H3,(H,17,18)
InChIKey FBQNGIYPHLVLRI-UHFFFAOYSA-N
Molecular Weight 309.424 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCC(=C)C)OC)CCNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956199