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3-Heptanone, 5-(2-methoxyphenyl)-2,6-dimethyl-, (+)-
SpectraBase Compound ID 3ZdqX7tgIHr
InChI InChI=1S/C16H24O2/c1-11(2)14(10-15(17)12(3)4)13-8-6-7-9-16(13)18-5/h6-9,11-12,14H,10H2,1-5H3
InChIKey BWRMSWAAZUDOEH-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdTybaE9qUz
Name 3-Heptanone, 5-(2-methoxyphenyl)-2,6-dimethyl-, (+)-
Alternate Name(s) 2,6-Dimethyl-5-(2-methoxyphenyl)pentanoate 5-(2-Methoxyphenyl)-2,6-dimethyl-3-heptanone
CAS Registry Number 86165-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-11(2)14(10-15(17)12(3)4)13-8-6-7-9-16(13)18-5/h6-9,11-12,14H,10H2,1-5H3
InChIKey BWRMSWAAZUDOEH-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C(CC(=O)C(C)C)(c1c(OC)cccc1)C(C)C
SPLASH splash10-01vo-8920000000-8a2acf1a22eaf446d298
Source of Spectrum SB-37-18-0
Wiley ID 1251588