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4-(2,6-Dimethylhepta-1,5-dien-1-yl)-5,7-dihydroxy-2-methyl-4H-chromene-6,8-dicarbaldehyde
SpectraBase Compound ID EDTDYi5cqyP
InChI InChI=1S/C21H24O5/c1-12(2)6-5-7-13(3)8-15-9-14(4)26-21-17(11-23)19(24)16(10-22)20(25)18(15)21/h6,8-11,15,24-25H,5,7H2,1-4H3
InChIKey QQNDZLBWEWHZSR-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1w5Izlj4ro
Name 4-(2,6-Dimethylhepta-1,5-dien-1-yl)-5,7-dihydroxy-2-methyl-4H-chromene-6,8-dicarbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.162373868 u
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-12(2)6-5-7-13(3)8-15-9-14(4)26-21-17(11-23)19(24)16(10-22)20(25)18(15)21/h6,8-11,15,24-25H,5,7H2,1-4H3
InChIKey QQNDZLBWEWHZSR-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 356.418 g/mol
Reported Formula C21H24O5
SMILES OC1=C(C2=C(C(=C1C=O)O)C(C=C(O2)C)C=C(CCC=C(C)C)C)C=O
SPLASH splash10-008i-0092000000-34c83b7e0b61584f7c30
Sample Comments E/Z = 3:2
Source of Spectrum QE-27-SM19-6Ei (DOI: 10.1002/chem.202102959)
Wiley ID 1904203