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Z-Butylidenephthalide

View entire compound with spectra: 6 NMR, 3 FTIR, and 14 MS (GC)

Z-Butylidenephthalide
SpectraBase Compound ID Geg5iY4A0NP
InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
InChIKey WMBOCUXXNSOQHM-FLIBITNWSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BMTRHK6V7SC
Name 3-Butylidenephthalide
Source of Sample Aldrich
Catalog Number W333301
CAS Registry Number 551-08-6
Classification Aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
InChIKey WMBOCUXXNSOQHM-FLIBITNWSA-N
Purity mixture of cis and trans isomers, >=96%, FG
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_11176