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

*Links on SpectraBase are not permalinks.

4-(1-Acetoxypropyl)-5,7-dihydroxy-8-(2-methylbutyryl)coumarin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(1-Acetoxypropyl)-5,7-dihydroxy-8-(2-methylbutyryl)coumarin
SpectraBase Compound ID HwBGaHBvfqO
InChI InChI=1S/C19H22O7/c1-5-9(3)18(24)17-13(22)8-12(21)16-11(7-15(23)26-19(16)17)14(6-2)25-10(4)20/h7-9,14,21-22H,5-6H2,1-4H3
InChIKey UNDVCYHYZJFJLK-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C19H22O7
Exact Mass 362.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9TBPh9qRRrt
Name 4-(1-Acetoxypropyl)-5,7-dihydroxy-8-(2-methylbutyryl)coumarin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.136553041 u
Formula C19H22O7
InChI InChI=1S/C19H22O7/c1-5-9(3)18(24)17-13(22)8-12(21)16-11(7-15(23)26-19(16)17)14(6-2)25-10(4)20/h7-9,14,21-22H,5-6H2,1-4H3
InChIKey UNDVCYHYZJFJLK-UHFFFAOYSA-N
Molecular Weight 362.378 g/mol
SMILES C=1(C2=C(C(C(OC(=O)C)CC)=CC(O2)=O)C(=CC1O)O)C(=O)C(CC)C