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3-Bromo-6-formyl-4,4,5,8-tetramethyl-3,4-dihydro-2H-1-benzopryan

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

3-Bromo-6-formyl-4,4,5,8-tetramethyl-3,4-dihydro-2H-1-benzopryan
SpectraBase Compound ID 8MB4fRqIlMi
InChI InChI=1S/C14H17BrO2/c1-8-5-10(6-16)9(2)12-13(8)17-7-11(15)14(12,3)4/h5-6,11H,7H2,1-4H3
InChIKey MBSWUELFIURLJQ-UHFFFAOYSA-N
Mol Weight 297.19 g/mol
Molecular Formula C14H17BrO2
Exact Mass 296.041193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dbs8a2Rz5ZU
Name 3-Bromo-6-formyl-4,4,5,8-tetramethyl-3,4-dihydro-2H-1-benzopryan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.041192785 u
Formula C14H17BrO2
InChI InChI=1S/C14H17BrO2/c1-8-5-10(6-16)9(2)12-13(8)17-7-11(15)14(12,3)4/h5-6,11H,7H2,1-4H3
InChIKey MBSWUELFIURLJQ-UHFFFAOYSA-N
SMILES C=12C(OCC(C2(C)C)Br)=C(C)C=C(C1C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840245