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4-Methyl-1,1,1,6-tetraphenyl-5-hexyn-2-one

View entire compound with spectra: 4 MS (GC)

4-Methyl-1,1,1,6-tetraphenyl-5-hexyn-2-one
SpectraBase Compound ID 5j2NAe5KQps
InChI InChI=1S/C31H26O/c1-25(22-23-26-14-6-2-7-15-26)24-30(32)31(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25H,24H2,1H3
InChIKey IOUIMVLEMVBJBQ-UHFFFAOYSA-N
Mol Weight 414.55 g/mol
Molecular Formula C31H26O
Exact Mass 414.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TjrdbZeWck
Name 4-Methyl-1,1,1,6-tetraphenyl-5-hexyn-2-one
Alternate Name(s) 5-Hexyn-2-one, 4-methyl-1,1,1,6-tetraphenyl- 4-Methyl-1,1,1,6-tetraphenyl-hex-5-yn-2-one
CAS Registry Number 78167-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26O
InChI InChI=1S/C31H26O/c1-25(22-23-26-14-6-2-7-15-26)24-30(32)31(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25H,24H2,1H3
InChIKey IOUIMVLEMVBJBQ-UHFFFAOYSA-N
Molecular Weight 414.548 g/mol
SMILES c1(C(c2ccccc2)(c2ccccc2)C(CC(C#Cc2ccccc2)C)=O)ccccc1
SPLASH splash10-0006-1590000000-b3c9db31bbdcbf649675
Wiley ID 1478043