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Caffealdehyde
SpectraBase Compound ID 5v43vd8w0re
InChI InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
InChIKey AXMVYSVVTMKQSL-OWOJBTEDSA-N
Mol Weight 164.16 g/mol
Molecular Formula C9H8O3
Exact Mass 164.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYZnPOrB8Ls
Name Caffealdehyde
Alternate Name(s) 3-(3',4'-dihydroxyphenyl)prop-2-en-1-al (E)-3-(3,4-dihydroxyphenyl)acrylaldehyde (E)-3-(3,4-dihydroxyphenyl)-2-propenal (E)-3-(3,4-dihydroxyphenyl)prop-2-enal (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enal
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Formula C9H8O3
InChI InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
InChIKey AXMVYSVVTMKQSL-OWOJBTEDSA-N
Molecular Weight 164.160 g/mol
SMILES Oc1c(cc(cc1)\C=C\C=O)O
SPLASH splash10-03dj-1900000000-d2d30db877fa1413107e
Source of Spectrum F5-5-810-7
Wiley ID 1733105