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4-(3,4-Methylenedioxyphenyl)-2-butanone

View entire compound with spectra: 4 NMR, 4 FTIR, and 3 MS (GC)

4-(3,4-Methylenedioxyphenyl)-2-butanone
SpectraBase Compound ID 6hHDoLfJjyu
InChI InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
InChIKey TZJLGGWGVLADDN-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FrJgNxSLtO4
Name 4-(3,4-Methylenedioxyphenyl)-2-butanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W270105
CAS Registry Number 55418-52-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
InChIKey TZJLGGWGVLADDN-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Piperonyl acetone
Wiley ID SIAL_13CNMR_013085