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

*Links on SpectraBase are not permalinks.
Ethyl 3-[3'-nitro-2'-(p-tolyl)-8'-methoxybenzopyran-3'-yl]-propionate
SpectraBase Compound ID BXoDoJYyls4
InChI InChI=1S/C22H25NO6/c1-4-28-19(24)12-13-22(23(25)26)14-17-6-5-7-18(27-3)20(17)29-21(22)16-10-8-15(2)9-11-16/h5-11,21H,4,12-14H2,1-3H3
InChIKey GAZHHKOFLCDEFW-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 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 84X2xfMtkT3
Name Ethyl 3-[3'-nitro-2'-(p-tolyl)-8'-methoxybenzopyran-3'-yl]-propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-4-28-19(24)12-13-22(23(25)26)14-17-6-5-7-18(27-3)20(17)29-21(22)16-10-8-15(2)9-11-16/h5-11,21H,4,12-14H2,1-3H3
InChIKey GAZHHKOFLCDEFW-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES C1(N(=O)=O)(C(Oc2c(C1)cccc2OC)c1ccc(C)cc1)CCC(=O)OCC
SPLASH splash10-0ufu-9255000000-63e286e599a4fd30a433
Source of Spectrum SK-20-1738-2b
Synonyms Ethyl 3-(8-methoxy-3-nitro-2-(p-tolyl)chroman-3-yl)propanoate
Wiley ID 1733796