For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HfbpZGD4jUl
Name 4-Methyl-1,1,1,6-tetraphenyl-5-hexyn-2-one
CAS Registry Number 97991-20-3
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 C(C(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(C#Cc1ccccc1)C)=O
SPLASH splash10-0006-0590000000-eb3f90867e7e5e63793b
Source of Spectrum H-68-276-7
Synonyms 5-Hexyn-2-one, 4-methyl-1,1,1,6-tetraphenyl- 4-Methyl-1,1,1,6-tetraphenyl-hex-5-yn-2-one
Wiley ID 1375855