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

*Links on SpectraBase are not permalinks.
1-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-3-(3-fluorophenyl)prop-2-yn-1-one
SpectraBase Compound ID GtKxolFpjbS
InChI InChI=1S/C24H21FO/c1-15(2)19-10-8-16(3)24-21(14-19)17(4)12-22(24)23(26)11-9-18-6-5-7-20(25)13-18/h5-8,10,12-15H,1-4H3
InChIKey MTUOLWNKFANTNZ-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C24H21FO
Exact Mass 344.157643 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 LnJyMO8Ty2
Name 1-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-3-(3-fluorophenyl)prop-2-yn-1-one
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21FO
InChI InChI=1S/C24H21FO/c1-15(2)19-10-8-16(3)24-21(14-19)17(4)12-22(24)23(26)11-9-18-6-5-7-20(25)13-18/h5-8,10,12-15H,1-4H3
InChIKey MTUOLWNKFANTNZ-UHFFFAOYSA-N
Instrument Name Finnigen MAT 200
Ionization Type EI+
Literature Reference DOI 10.3762/bjoc.7.136
Molecular Weight 344.429 g/mol
SMILES Cc1cc(C(=O)C#Cc2cccc(c2)F)c2c(C)ccc(C(C)C)cc12
SPLASH splash10-0006-0549000000-1fe67a0a484020e16b5c
Source of Spectrum BJO-7-SM12-3g
Wiley ID 1867034