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2-Hexenoic acid, 5-methyl-, 4-methylphenyl ester
SpectraBase Compound ID 5zPVqU8vcgG
InChI InChI=1S/C14H18O2/c1-11(2)5-4-6-14(15)16-13-9-7-12(3)8-10-13/h4,6-11H,5H2,1-3H3/b6-4+
InChIKey YNCYLQBRJQJTLH-GQCTYLIASA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUabBm9rzqu
Name 2-Hexenoic acid, 5-methyl-, 4-methylphenyl ester
Alternate Name(s) 4-Methylphenyl (2E)-5-methyl-2-hexenoate (4-methylphenyl) (E)-5-methylhex-2-enoate (E)-5-methyl-2-hexenoic acid (4-methylphenyl) ester (E)-5-methylhex-2-enoic acid p-tolyl ester p-Tolyl (E)-5-methylhex-2-enoate
CAS Registry Number 72060-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-11(2)5-4-6-14(15)16-13-9-7-12(3)8-10-13/h4,6-11H,5H2,1-3H3/b6-4+
InChIKey YNCYLQBRJQJTLH-GQCTYLIASA-N
Molecular Weight 218.296 g/mol
SMILES CC(C)C\C=C\C(=O)Oc1ccc(C)cc1
SPLASH splash10-0903-9400000000-c31b503f472c1dff5c4a
Source of Spectrum W5-17977-0-0
Wiley ID 1217874