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2-Acetophenyl-1,3-dimethylbenzene
SpectraBase Compound ID 4T5nsH04x1e
InChI InChI=1S/C16H16O/c1-11-5-4-6-12(2)16(11)15-9-7-14(8-10-15)13(3)17/h4-10H,1-3H3
InChIKey MSGZXJLWMJZLLG-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCfYdtb7R67
Name 2-Acetophenyl-1,3-dimethylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O
InChI InChI=1S/C16H16O/c1-11-5-4-6-12(2)16(11)15-9-7-14(8-10-15)13(3)17/h4-10H,1-3H3
InChIKey MSGZXJLWMJZLLG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo202472k
Molecular Weight 224.303 g/mol
SMILES c1c(ccc(c1)-c1c(cccc1C)C)C(=O)C
SPLASH splash10-0a4i-0290000000-73aadb4aefc7a15b4c73
Source of Spectrum J-77-3547-Table5,entry4
Synonyms 1-(2',6'-dimethyl-[1,1'-biphenyl]-4-yl)ethanone
Wiley ID 1745002