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(R)-1-(1,3-Benzodioxol-5-yl)-2,2-dibromo-1-ethanol

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

(R)-1-(1,3-Benzodioxol-5-yl)-2,2-dibromo-1-ethanol
SpectraBase Compound ID Lnhs2TehqMm
InChI InChI=1S/C9H8Br2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8-9,12H,4H2/t8-/m1/s1
InChIKey KXAPXAUUTBUPGU-MRVPVSSYSA-N
Mol Weight 323.97 g/mol
Molecular Formula C9H8Br2O3
Exact Mass 321.88402 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2hLWIQSRV8H
Name (R)-1-(1,3-Benzodioxol-5-yl)-2,2-dibromo-1-ethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.884020115 u
Formula C9H8Br2O3
InChI InChI=1S/C9H8Br2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8-9,12H,4H2/t8-/m1/s1
InChIKey KXAPXAUUTBUPGU-MRVPVSSYSA-N
Molecular Weight 323.968 g/mol
SMILES [C@](C(Br)Br)(O)(C=1C=C2OCOC2=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944042