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1,4-Pentadiyn-3-one, 1,5-bis(2,4,6-trimethylphenyl)-
SpectraBase Compound ID FVaMO3kQA9k
InChI InChI=1S/C23H22O/c1-15-11-17(3)22(18(4)12-15)9-7-21(24)8-10-23-19(5)13-16(2)14-20(23)6/h11-14H,1-6H3
InChIKey XTHJKNXKQMUYOB-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C23H22O
Exact Mass 314.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWkwGApwiqN
Name 1,4-Pentadiyn-3-one, 1,5-bis(2,4,6-trimethylphenyl)-
CAS Registry Number 51118-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O
InChI InChI=1S/C23H22O/c1-15-11-17(3)22(18(4)12-15)9-7-21(24)8-10-23-19(5)13-16(2)14-20(23)6/h11-14H,1-6H3
InChIKey XTHJKNXKQMUYOB-UHFFFAOYSA-N
Molecular Weight 314.428 g/mol
SMILES Cc1cc(C)c(C#CC(C#Cc2c(C)cc(C)cc2C)=O)c(C)c1
SPLASH splash10-03fr-3895000000-d3aed15d22675126d29e
Source of Spectrum EP-7102-0-0
Synonyms 1,5-Dimesityl-1,4-pentadiyn-3-one 1,5-bis(2,4,6-trimethylphenyl)-3-penta-1,4-diynone 1,5-bis(2,4,6-trimethylphenyl)penta-1,4-diyn-3-one 1,5-Dimesitylpenta-1,4-diyn-3-one
Wiley ID 1315710