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4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

View entire compound with spectra: 1 NMR, 4 FTIR, and 6 MS (GC)

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID Hbcjln7hscS
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChIKey PSQYTAPXSHCGMF-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CIkOZzCo6LT
Name beta-Ionone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W259500
Lot Number 00821JE
CAS Registry Number 14901-07-6 (alternate)
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChIKey PSQYTAPXSHCGMF-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
Purity >=97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
Technique Between salts
Wiley ID SIAL_FF-FTIR_000822