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2-Heptenoic acid, 4-methylphenyl ester
SpectraBase Compound ID 4LxQYupoqPQ
InChI InChI=1S/C14H18O2/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h6-11H,3-5H2,1-2H3/b7-6+
InChIKey MNEPZFYWQFWOCC-VOTSOKGWSA-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 5FQmrIlUki7
Name 2-Heptenoic acid, 4-methylphenyl ester
Alternate Name(s) 4-Methylphenyl (2E)-2-heptenoate (4-methylphenyl) (E)-hept-2-enoate (E)-2-heptenoic acid (4-methylphenyl) ester (E)-hept-2-enoic acid p-tolyl ester p-Tolyl (E)-hept-2-enoate
CAS Registry Number 72060-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h6-11H,3-5H2,1-2H3/b7-6+
InChIKey MNEPZFYWQFWOCC-VOTSOKGWSA-N
Molecular Weight 218.296 g/mol
SMILES CCCC\C=C\C(=O)Oc1ccc(C)cc1
SPLASH splash10-08fr-8900000000-5508b325f99869e8a9d1
Source of Spectrum W5-17978-0-0
Wiley ID 1217872