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3',4'-Dimethoxyacetophenone
SpectraBase Compound ID DIgeB0MmjfF
InChI InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKey IQZLUWLMQNGTIW-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7nV5NCi4v4
Name Acetophenone <3',4'-dimethoxy->
Source of Sample SAFC Cat.no. W510424
CAS Registry Number 1131-62-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKey IQZLUWLMQNGTIW-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
Number of Peaks 50
RI1 1568
RI2 1245
RI3 1834
RI4 1797
RI5 1520
SMILES COc1c(cc(cc1)C(C)=O)OC
SPLASH splash10-014i-6900000000-270addbd371b5a0b0722
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Ethanone, 1-(3,4-dimethoxyphenyl)-
Wiley ID LM_FFNSC3_64