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(2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethyl-octa-2,6-dienal
SpectraBase Compound ID BFjMHd6N8mY
InChI InChI=1S/C16H20O3/c1-12(4-3-5-13(2)11-17)6-7-14-10-15(18)8-9-16(14)19/h5-6,8-11,18-19H,3-4,7H2,1-2H3/b12-6+,13-5+
InChIKey SMWFREPIBWIJGX-YKNDAMCPSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQujdmUX6yl
Name (2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethyl-octa-2,6-dienal
Alternate Name(s) (2E,6E)-8-[2,5-bis(oxidanyl)phenyl]-2,6-dimethyl-octa-2,6-dienal Alliodorin
CAS Registry Number 50906-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-12(4-3-5-13(2)11-17)6-7-14-10-15(18)8-9-16(14)19/h5-6,8-11,18-19H,3-4,7H2,1-2H3/b12-6+,13-5+
InChIKey SMWFREPIBWIJGX-YKNDAMCPSA-N
Molecular Weight 260.333 g/mol
SMILES Oc1cc(c(cc1)O)C\C=C\(CC\C=C\(C=O)C)C
SPLASH splash10-08mi-6910000000-a702e2c8499846118c77
Source of Spectrum F-32-666-1
Wiley ID 1263982