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1C-B 2bu

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

1C-B 2bu
SpectraBase Compound ID 2LM3ybjOQG2
InChI InChI=1S/C17H28BrNO2/c1-5-7-9-19(10-8-6-2)13-14-11-17(21-4)15(18)12-16(14)20-3/h11-12H,5-10,13H2,1-4H3
InChIKey MADDLKOYJZKHCQ-UHFFFAOYSA-N
Mol Weight 358.32 g/mol
Molecular Formula C17H28BrNO2
Exact Mass 357.130342 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4AhjNjrK4eI
Name 1C-B 2bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.130342144 u
Formula C17H28BrNO2
InChI InChI=1S/C17H28BrNO2/c1-5-7-9-19(10-8-6-2)13-14-11-17(21-4)15(18)12-16(14)20-3/h11-12H,5-10,13H2,1-4H3
InChIKey MADDLKOYJZKHCQ-UHFFFAOYSA-N
Molecular Weight 358.320 g/mol
SMILES C1(=C(C=C(C(=C1)OC)Br)OC)CN(CCCC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872821