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

*Links on SpectraBase are not permalinks.
5-Methoxy-3-propyl-2-benzopyran-1-one
SpectraBase Compound ID EcaOHRbYoMU
InChI InChI=1S/C13H14O3/c1-3-5-9-8-11-10(13(14)16-9)6-4-7-12(11)15-2/h4,6-8H,3,5H2,1-2H3
InChIKey SHTUPTUUGPBHIW-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 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 C290XGXQuDl
Name 5-Methoxy-3-propyl-2-benzopyran-1-one
Alternate Name(s) 5-Methoxy-3-propyl-isochromen-1-one 5-Methoxy-3-propyl-isocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-3-5-9-8-11-10(13(14)16-9)6-4-7-12(11)15-2/h4,6-8H,3,5H2,1-2H3
InChIKey SHTUPTUUGPBHIW-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C1(OC(CCC)=Cc2c1cccc2OC)=O
SPLASH splash10-02ti-3920000000-af7374699b2eeecbcb0f
Source of Spectrum F-56-2543-2
Wiley ID 856530