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2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-
SpectraBase Compound ID 6EWjILMY1Tc
InChI InChI=1S/C14H18O2/c1-3-4-5-6-7-13(15)12-10-11(2)8-9-14(12)16/h6-10,16H,3-5H2,1-2H3/b7-6+
InChIKey CRDXXGUXEQKWAL-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 2Of6E87qIUt
Name 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)-
CAS Registry Number 51956-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-3-4-5-6-7-13(15)12-10-11(2)8-9-14(12)16/h6-10,16H,3-5H2,1-2H3/b7-6+
InChIKey CRDXXGUXEQKWAL-VOTSOKGWSA-N
Molecular Weight 218.296 g/mol
SMILES Oc1c(C(\C=C\CCCC)=O)cc(cc1)C
SPLASH splash10-03di-2900000000-73f2f243d30e24d11524
Source of Spectrum EP-6698-0-0
Synonyms (2E)-1-(2-Hydroxy-5-methylphenyl)-2-hepten-1-one (E)-1-(2-hydroxy-5-methyl-phenyl)hept-2-en-1-one (E)-1-(2-hydroxy-5-methylphenyl)-2-hepten-1-one (E)-1-(5-methyl-2-oxidanyl-phenyl)hept-2-en-1-one
Wiley ID 1217892