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(2'-Bromocyclopent-1'-en-1'-yl)-phenylmethanone

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

(2'-Bromocyclopent-1'-en-1'-yl)-phenylmethanone
SpectraBase Compound ID KxahoYKVDFo
InChI InChI=1S/C12H11BrO/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey JTGFEZJFKPXRKT-UHFFFAOYSA-N
Mol Weight 251.12 g/mol
Molecular Formula C12H11BrO
Exact Mass 249.999328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KCWJIlcIIhp
Name (2'-Bromocyclopent-1'-en-1'-yl)-phenylmethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.999327973 u
Formula C12H11BrO
InChI InChI=1S/C12H11BrO/c13-11-8-4-7-10(11)12(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey JTGFEZJFKPXRKT-UHFFFAOYSA-N
Molecular Weight 251.123 g/mol
SMILES C1(=C(CCC1)Br)C(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97197