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2,4-Pentadienal, 5-[6-(acetyloxy)-2-methyl-2H-1-benzopyran-2-yl]-2-methyl-, (E,E)-
SpectraBase Compound ID 5xJsXUU5WR7
InChI InChI=1S/C18H18O4/c1-13(12-19)5-4-9-18(3)10-8-15-11-16(21-14(2)20)6-7-17(15)22-18/h4-12H,1-3H3/b9-4+,13-5+
InChIKey PGDZIDUPFUVSEA-XNOVGRFCSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97DP5GIK436
Name 2,4-Pentadienal, 5-[6-(acetyloxy)-2-methyl-2H-1-benzopyran-2-yl]-2-methyl-, (E,E)-
CAS Registry Number 85563-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-13(12-19)5-4-9-18(3)10-8-15-11-16(21-14(2)20)6-7-17(15)22-18/h4-12H,1-3H3/b9-4+,13-5+
InChIKey PGDZIDUPFUVSEA-XNOVGRFCSA-N
Molecular Weight 298.338 g/mol
SMILES c12OC(C=Cc2cc(OC(=O)C)cc1)(\C=C\C=C\(C=O)C)C
SPLASH splash10-0abc-5390000000-eb118e5db9bddb29c2ee
Source of Spectrum KC-1983-42-0
Synonyms 2-Methyl-2-[(1E,3E)-4-methyl-5-oxo-1,3-pentadienyl]-2H-chromen-6-yl acetate Dehydroelaeagin acetate
Wiley ID 1301082