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Piperonal
SpectraBase Compound ID 3K8Y8seysaz
InChI InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey SATCULPHIDQDRE-UHFFFAOYSA-N
Mol Weight 150.13 g/mol
Molecular Formula C8H6O3
Exact Mass 150.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBrntL3pfk6
Name Piperonal
Source of Sample Sigma-Aldrich Cat. #P49104
CAS Registry Number 120-57-0
Classification Pesticides: Insecticides, Repellents
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 150.031694050 u
Formula C8H6O3
InChI InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey SATCULPHIDQDRE-UHFFFAOYSA-N
Molecular Weight 150.133 g/mol
Number of Peaks 47
RI1 1333
SMILES C(=O)c1cc2c(OCO2)cc1
SPLASH splash10-0ikb-7900000000-9e0f7d28f029cb5891de
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,3-Benzodioxole-5-carboxaldehyde
Wiley ID LM_PEST_1188