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5-Benzylidene-1-(4'-methylphenyl)heptane-1,6-dione
SpectraBase Compound ID TFlJiMZSgk
InChI InChI=1S/C21H22O2/c1-16-11-13-19(14-12-16)21(23)10-6-9-20(17(2)22)15-18-7-4-3-5-8-18/h3-5,7-8,11-15H,6,9-10H2,1-2H3/b20-15-
InChIKey APPOIEGFJVUNRQ-HKWRFOASSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvJin8D59SM
Name 5-Benzylidene-1-(4'-methylphenyl)heptane-1,6-dione
Alternate Name(s) (5Z)-5-benzylidene-1-(4-methylphenyl)-1,6-heptanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c1-16-11-13-19(14-12-16)21(23)10-6-9-20(17(2)22)15-18-7-4-3-5-8-18/h3-5,7-8,11-15H,6,9-10H2,1-2H3/b20-15-
InChIKey APPOIEGFJVUNRQ-HKWRFOASSA-N
Molecular Weight 306.405 g/mol
SMILES c1(\C=C/(C(=O)C)CCCC(c2ccc(cc2)C)=O)ccccc1
SPLASH splash10-00l6-4900000000-191fcfc64c9989601cc9
Source of Spectrum K1-2001-2418-16
Wiley ID 813936