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2C-T-28 2All

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

2C-T-28 2All
SpectraBase Compound ID Ex8sqaBplP3
InChI InChI=1S/C19H28FNO2S/c1-5-10-21(11-6-2)12-8-16-14-18(23-4)19(15-17(16)22-3)24-13-7-9-20/h5-6,14-15H,1-2,7-13H2,3-4H3
InChIKey BTKQZJKJXZFCFQ-UHFFFAOYSA-N
Mol Weight 353.5 g/mol
Molecular Formula C19H28FNO2S
Exact Mass 353.182478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D9rr4f5dt35
Name 2C-T-28 2All
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.182478481 u
Formula C19H28FNO2S
InChI InChI=1S/C19H28FNO2S/c1-5-10-21(11-6-2)12-8-16-14-18(23-4)19(15-17(16)22-3)24-13-7-9-20/h5-6,14-15H,1-2,7-13H2,3-4H3
InChIKey BTKQZJKJXZFCFQ-UHFFFAOYSA-N
Molecular Weight 353.496 g/mol
SMILES C1(=C(C=C(C(=C1)OC)SCCCF)OC)CCN(CC=C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883043