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

*Links on SpectraBase are not permalinks.
3-n-Butyl-4-hexynylisocoumarin
SpectraBase Compound ID 5xsRmiOftdP
InChI InChI=1S/C19H22O2/c1-3-5-7-8-12-16-15-11-9-10-13-17(15)19(20)21-18(16)14-6-4-2/h9-11,13H,3-7,14H2,1-2H3
InChIKey MOBIJCOFVUBDSG-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 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 Ikp9qO7ZH4G
Name 3-n-Butyl-4-hexynylisocoumarin
Alternate Name(s) 3-Butyl-4-(4-hexynyl)-1H-2-benzopyran-1-one 3-n-Butyl-1-hexynylisocoumarin 3-Butyl-4-hex-1-ynyl-2-benzopyran-1-one 3-Butyl-4-hex-1-ynylisochromen-1-one 3-Butyl-4-hex-1-ynyl-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-3-5-7-8-12-16-15-11-9-10-13-17(15)19(20)21-18(16)14-6-4-2/h9-11,13H,3-7,14H2,1-2H3
InChIKey MOBIJCOFVUBDSG-UHFFFAOYSA-N
Molecular Weight 282.383 g/mol
SMILES C1(=C(OC(c2c1cccc2)=O)CCCC)C#CCCCC
SPLASH splash10-0019-0090000000-16db38bcb029c7622c65
Source of Spectrum J-60-3715-2
Wiley ID 1286417