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3-(Hydroxyphenylmethyl)-2,2,3-trimethyloctan-4-one
SpectraBase Compound ID Dsc8q3Lybrb
InChI InChI=1S/C18H28O2/c1-6-7-13-15(19)18(5,17(2,3)4)16(20)14-11-9-8-10-12-14/h8-12,16,20H,6-7,13H2,1-5H3
InChIKey WPTSLNGESIFXSS-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ic0b4QjIcG
Name 3-(Hydroxyphenylmethyl)-2,2,3-trimethyloctan-4-one
CAS Registry Number 97234-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-6-7-13-15(19)18(5,17(2,3)4)16(20)14-11-9-8-10-12-14/h8-12,16,20H,6-7,13H2,1-5H3
InChIKey WPTSLNGESIFXSS-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES OC(c1ccccc1)C(C)(C(C)(C)C)C(=O)CCCC
SPLASH splash10-0a4r-9200000000-594b38e3db312ff3e3af
Synonyms 2,2,3-trimethyl-3-[oxidanyl(phenyl)methyl]octan-4-one 3-[Hydroxy(phenyl)methyl]-2,2,3-trimethyl-4-octanone 3-[hydroxy(phenyl)methyl]-2,2,3-trimethyloctan-4-one
Wiley ID 1484696