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3-Bromo-2,2-diethyl-2H-1-benzopyran

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

3-Bromo-2,2-diethyl-2H-1-benzopyran
SpectraBase Compound ID 8Jcl97rQED
InChI InChI=1S/C13H15BrO/c1-3-13(4-2)12(14)9-10-7-5-6-8-11(10)15-13/h5-9H,3-4H2,1-2H3
InChIKey NCIFGFMAEVSKHH-UHFFFAOYSA-N
Mol Weight 267.17 g/mol
Molecular Formula C13H15BrO
Exact Mass 266.030628 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dy6W7LRLsTK
Name 3-Bromo-2,2-diethyl-2H-1-benzopyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.030628102 u
Formula C13H15BrO
InChI InChI=1S/C13H15BrO/c1-3-13(4-2)12(14)9-10-7-5-6-8-11(10)15-13/h5-9H,3-4H2,1-2H3
InChIKey NCIFGFMAEVSKHH-UHFFFAOYSA-N
Molecular Weight 267.166 g/mol
SMILES C1(OC=2C(C=C1Br)=CC=CC2)(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858898