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1,1,1-Triphenyl-4-methylundec-5-yn-2-one
SpectraBase Compound ID L6l6Uh8uhqZ
InChI InChI=1S/C30H32O/c1-3-4-5-6-10-17-25(2)24-29(31)30(26-18-11-7-12-19-26,27-20-13-8-14-21-27)28-22-15-9-16-23-28/h7-9,11-16,18-23,25H,3-6,24H2,1-2H3
InChIKey JSMFWZAHCCABKK-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C30H32O
Exact Mass 408.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKUlzDHTeyw
Name 1,1,1-Triphenyl-4-methylundec-5-yn-2-one
CAS Registry Number 97991-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O
InChI InChI=1S/C30H32O/c1-3-4-5-6-10-17-25(2)24-29(31)30(26-18-11-7-12-19-26,27-20-13-8-14-21-27)28-22-15-9-16-23-28/h7-9,11-16,18-23,25H,3-6,24H2,1-2H3
InChIKey JSMFWZAHCCABKK-UHFFFAOYSA-N
Molecular Weight 408.585 g/mol
SMILES C(C(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(C#CCCCCC)C)=O
SPLASH splash10-0006-0290000000-88fd38284d29ef87cacf
Source of Spectrum H-68-276-7
Synonyms 4-Methyl-1,1,1-triphenyl-5-undecyn-2-one 4-Methyl-1,1,1-triphenyl-undec-5-yn-2-one
Wiley ID 1373205