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3-(4-Methoxyphenyl)-4-heptanone
SpectraBase Compound ID 8xOzLkJHX5C
InChI InChI=1S/C14H20O2/c1-4-6-14(15)13(5-2)11-7-9-12(16-3)10-8-11/h7-10,13H,4-6H2,1-3H3
InChIKey CLVCLDAUZTYSCY-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP0a1wLK19V
Name 3-(4-Methoxyphenyl)-4-heptanone
CAS Registry Number 84736-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-4-6-14(15)13(5-2)11-7-9-12(16-3)10-8-11/h7-10,13H,4-6H2,1-3H3
InChIKey CLVCLDAUZTYSCY-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES c1cc(ccc1C(C(CCC)=O)CC)OC
SPLASH splash10-006t-1900000000-5f9eb738846b8748ba45
Source of Spectrum B-35-1870-0
Synonyms 3-(4-Methoxyphenyl)heptan-4-one
Wiley ID 1220072