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2C-T-28 bu

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

2C-T-28 bu
SpectraBase Compound ID Co7FipGUWRn
InChI InChI=1S/C17H28FNO2S/c1-4-5-9-19-10-7-14-12-16(21-3)17(13-15(14)20-2)22-11-6-8-18/h12-13,19H,4-11H2,1-3H3
InChIKey NSSGAHOOHQMWQC-UHFFFAOYSA-N
Mol Weight 329.47 g/mol
Molecular Formula C17H28FNO2S
Exact Mass 329.182478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I25cpkJkbvB
Name 2C-T-28 bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.182478481 u
Formula C17H28FNO2S
InChI InChI=1S/C17H28FNO2S/c1-4-5-9-19-10-7-14-12-16(21-3)17(13-15(14)20-2)22-11-6-8-18/h12-13,19H,4-11H2,1-3H3
InChIKey NSSGAHOOHQMWQC-UHFFFAOYSA-N
Molecular Weight 329.474 g/mol
SMILES C1(=C(C=C(C(=C1)OC)SCCCF)OC)CCNCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944851