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5-Bromanyl-1,1,3,3,6-pentamethyl-2-benzofuran

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5-Bromanyl-1,1,3,3,6-pentamethyl-2-benzofuran
SpectraBase Compound ID 3wzDtauJbKG
InChI InChI=1S/C13H17BrO/c1-8-6-9-10(7-11(8)14)13(4,5)15-12(9,2)3/h6-7H,1-5H3
InChIKey HLDQUABSFQRLFU-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 8fhbYGZzGOV
Name 5-Bromanyl-1,1,3,3,6-pentamethyl-2-benzofuran
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/c1-8-6-9-10(7-11(8)14)13(4,5)15-12(9,2)3/h6-7H,1-5H3
InChIKey HLDQUABSFQRLFU-UHFFFAOYSA-N
Molecular Weight 269.182 g/mol
SMILES C12=C(C(C)(C)OC2(C)C)C=C(C(=C1)Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968747