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2C-T-27 2bu

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

2C-T-27 2bu
SpectraBase Compound ID FgtoaVAOEPZ
InChI InChI=1S/C25H37NO2S/c1-5-7-15-26(16-8-6-2)17-14-22-18-24(28-4)25(19-23(22)27-3)29-20-21-12-10-9-11-13-21/h9-13,18-19H,5-8,14-17,20H2,1-4H3
InChIKey USCNMEIHXRPVMM-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C25H37NO2S
Exact Mass 415.254501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8jPVSmIuAFa
Name 2C-T-27 2bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.254500607 u
Formula C25H37NO2S
InChI InChI=1S/C25H37NO2S/c1-5-7-15-26(16-8-6-2)17-14-22-18-24(28-4)25(19-23(22)27-3)29-20-21-12-10-9-11-13-21/h9-13,18-19H,5-8,14-17,20H2,1-4H3
InChIKey USCNMEIHXRPVMM-UHFFFAOYSA-N
Molecular Weight 415.636 g/mol
SMILES C1(=C(C=C(C(=C1)OC)CCN(CCCC)CCCC)OC)SCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853566