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2-Hexenoic acid, 4-methylphenyl ester
SpectraBase Compound ID EXVx0UDGmtU
InChI InChI=1S/C13H16O2/c1-3-4-5-6-13(14)15-12-9-7-11(2)8-10-12/h5-10H,3-4H2,1-2H3/b6-5+
InChIKey ZSNJETLPYLDVIM-AATRIKPKSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RPtrqwcZDL
Name 2-Hexenoic acid, 4-methylphenyl ester
Alternate Name(s) 4-Methylphenyl (2E)-2-hexenoate (4-methylphenyl) (E)-hex-2-enoate (E)-2-hexenoic acid (4-methylphenyl) ester (E)-hex-2-enoic acid p-tolyl ester p-Tolyl (E)-hex-2-enoate
CAS Registry Number 69687-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-3-4-5-6-13(14)15-12-9-7-11(2)8-10-12/h5-10H,3-4H2,1-2H3/b6-5+
InChIKey ZSNJETLPYLDVIM-AATRIKPKSA-N
Molecular Weight 204.269 g/mol
SMILES CCC\C=C\C(=O)Oc1ccc(C)cc1
SPLASH splash10-052b-9000000000-b3c014266fccc960b067
Source of Spectrum W5-15988-0-0
Wiley ID 1201974