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2-Propenal, 3-(1,3-benzodioxol-5-yl)-
SpectraBase Compound ID FDEvD4A9yu
InChI InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1+
InChIKey HZUFMSJUNLSDSZ-OWOJBTEDSA-N
Mol Weight 176.17 g/mol
Molecular Formula C10H8O3
Exact Mass 176.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FT5yaLr7p44
Name (2E)-3-(1,3-Benzodioxol-5-yl)-2-propenal
CAS Registry Number 14756-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O3
InChI InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1+
InChIKey HZUFMSJUNLSDSZ-OWOJBTEDSA-N
Molecular Weight 176.171 g/mol
SMILES c12c(OCO2)ccc(\C=C\C=O)c1
SPLASH splash10-00r2-0900000000-ba06a2fc3d47bb98c49e
Source of Spectrum K-2001-2396-3
Synonyms (E)-3-(1,3-benzodioxol-5-yl)-2-propenal (E)-3-(1,3-benzodioxol-5-yl)acrolein (E)-3-(1,3-benzodioxol-5-yl)prop-2-enal 2-Propenal, 3-(1,3-benzodioxol-5-yl)-
Wiley ID 1580541