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(E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)-2-propenal
SpectraBase Compound ID IuB5cZ9gxGp
InChI InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10-12(11(9)15-2)17-7-16-10/h3-6H,7H2,1-2H3/b4-3+
InChIKey PUJRAIAIDSMJAV-ONEGZZNKSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mgADTi8u
Name (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)-2-propenal
Alternate Name(s) (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)acrolein (E)-3-(6,7-dimethoxy-1,3-benzodioxol-4-yl)prop-2-enal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10-12(11(9)15-2)17-7-16-10/h3-6H,7H2,1-2H3/b4-3+
InChIKey PUJRAIAIDSMJAV-ONEGZZNKSA-N
Molecular Weight 236.223 g/mol
SMILES c12c(c(OC)cc(c2OCO1)\C=C\C=O)OC
SPLASH splash10-06s6-0940000000-036e698a5d4d26af4e06
Source of Spectrum E2-47-1153-2
Wiley ID 1554937