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2-(Bromomethyl)-4,5-bis(benzyl)-1,3-dioxolan

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

2-(Bromomethyl)-4,5-bis(benzyl)-1,3-dioxolan
SpectraBase Compound ID GbvJ6cbfDbJ
InChI InChI=1S/C18H19BrO2/c19-13-18-20-16(11-14-7-3-1-4-8-14)17(21-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17-/m0/s1
InChIKey CBUNDYSTIPJYKE-IRXDYDNUSA-N
Mol Weight 347.25 g/mol
Molecular Formula C18H19BrO2
Exact Mass 346.056843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5shZKOnfKKY
Name 2-(Bromomethyl)-4,5-bis(benzyl)-1,3-dioxolan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.056842850 u
Formula C18H19BrO2
InChI InChI=1S/C18H19BrO2/c19-13-18-20-16(11-14-7-3-1-4-8-14)17(21-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17-/m0/s1
InChIKey CBUNDYSTIPJYKE-IRXDYDNUSA-N
Molecular Weight 347.252 g/mol
SMILES [C@@]1(OC(O[C@]1(CC1=CC=CC=C1)[H])CBr)(CC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852778