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1-Naphthalenecarboxaldehyde, 3-(bromomethyl)-2-methyl-
SpectraBase Compound ID AQMerYPi3kZ
InChI InChI=1S/C13H11BrO/c1-9-11(7-14)6-10-4-2-3-5-12(10)13(9)8-15/h2-6,8H,7H2,1H3
InChIKey PESIKUFMDZFBGG-UHFFFAOYSA-N
Mol Weight 263.13 g/mol
Molecular Formula C13H11BrO
Exact Mass 261.999328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4eIeuI44sfW
Name 1-Naphthalenecarboxaldehyde, 3-(bromomethyl)-2-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.999327973 u
Formula C13H11BrO
InChI InChI=1S/C13H11BrO/c1-9-11(7-14)6-10-4-2-3-5-12(10)13(9)8-15/h2-6,8H,7H2,1H3
InChIKey PESIKUFMDZFBGG-UHFFFAOYSA-N
Molecular Weight 263.134 g/mol
SMILES C=1(C(=C(CBr)C=C2C1C=CC=C2)C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910107