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

*Links on SpectraBase are not permalinks.

(S)-4-Hydroxy-3-[1-(2-nitrophenyl)-3-oxobutyl]-chromen-2-one

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

(S)-4-Hydroxy-3-[1-(2-nitrophenyl)-3-oxobutyl]-chromen-2-one
SpectraBase Compound ID 1Toqh766m7M
InChI InChI=1S/C19H15NO6/c1-11(21)10-14(12-6-2-4-8-15(12)20(24)25)17-18(22)13-7-3-5-9-16(13)26-19(17)23/h2-9,14,22H,10H2,1H3/t14-/m0/s1
InChIKey WCFYPFLSAIBZSA-AWEZNQCLSA-N
Mol Weight 353.33 g/mol
Molecular Formula C19H15NO6
Exact Mass 353.089937 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 D4v1a6WHMMp
Name (S)-4-Hydroxy-3-[1-(2-nitrophenyl)-3-oxobutyl]-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.089937201 u
Formula C19H15NO6
InChI InChI=1S/C19H15NO6/c1-11(21)10-14(12-6-2-4-8-15(12)20(24)25)17-18(22)13-7-3-5-9-16(13)26-19(17)23/h2-9,14,22H,10H2,1H3/t14-/m0/s1
InChIKey WCFYPFLSAIBZSA-AWEZNQCLSA-N
Molecular Weight 353.330 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)O)[C@](C1=C(N(=O)=O)C=CC=C1)(CC(=O)C)[H]