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(S)-1-Bromo-2-(1-methoxy-n-octyloxypropyl)benzene

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

(S)-1-Bromo-2-(1-methoxy-n-octyloxypropyl)benzene
SpectraBase Compound ID 2o2tcInSp9y
InChI InChI=1S/C18H29BrO2/c1-3-4-5-6-7-14-18(20-2)21-15-10-12-16-11-8-9-13-17(16)19/h8-9,11,13,18H,3-7,10,12,14-15H2,1-2H3/t18-/m0/s1
InChIKey NXVBCAJNDREPHC-SFHVURJKSA-N
Mol Weight 357.33 g/mol
Molecular Formula C18H29BrO2
Exact Mass 356.135093 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HuXDokctxN0
Name (S)-1-Bromo-2-(1-methoxy-N-octyloxypropyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.135093172 u
Formula C18H29BrO2
InChI InChI=1S/C18H29BrO2/c1-3-4-5-6-7-14-18(20-2)21-15-10-12-16-11-8-9-13-17(16)19/h8-9,11,13,18H,3-7,10,12,14-15H2,1-2H3/t18-/m0/s1
InChIKey NXVBCAJNDREPHC-SFHVURJKSA-N
Molecular Weight 357.332 g/mol
SMILES C=1(C(CCCO[C@](OC)(CCCCCCC)[H])=CC=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911666