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5-Bromo-2,3,3,4,7-pentamethyl-2,3-dihydrobenzofuran

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5-Bromo-2,3,3,4,7-pentamethyl-2,3-dihydrobenzofuran
SpectraBase Compound ID 4XLCbVkYJwe
InChI InChI=1S/C13H17BrO/c1-7-6-10(14)8(2)11-12(7)15-9(3)13(11,4)5/h6,9H,1-5H3
InChIKey MDXSTLMAKYXUFK-UHFFFAOYSA-N
Mol Weight 269.18 g/mol
Molecular Formula C13H17BrO
Exact Mass 268.046278 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3A9yXKR9VnU
Name 5-Bromo-2,3,3,4,7-pentamethyl-2,3-dihydrobenzofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.046278166 u
Formula C13H17BrO
InChI InChI=1S/C13H17BrO/c1-7-6-10(14)8(2)11-12(7)15-9(3)13(11,4)5/h6,9H,1-5H3
InChIKey MDXSTLMAKYXUFK-UHFFFAOYSA-N
Molecular Weight 269.182 g/mol
SMILES C=12C(C(C)(C)C(O2)C)=C(C)C(=CC1C)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9116