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

*Links on SpectraBase are not permalinks.
7,7-Dimethyl-3-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydrocoumarin
SpectraBase Compound ID qIWbrYR5Lv
InChI InChI=1S/C17H15NO5/c1-17(2)8-14(19)13-7-12(16(20)23-15(13)9-17)10-3-5-11(6-4-10)18(21)22/h3-7H,8-9H2,1-2H3
InChIKey HGRFZLXQONESEK-UHFFFAOYSA-N
Mol Weight 313.31 g/mol
Molecular Formula C17H15NO5
Exact Mass 313.095023 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 5WCTsoYBvzo
Name 7,7-Dimethyl-3-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydrocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO5
InChI InChI=1S/C17H15NO5/c1-17(2)8-14(19)13-7-12(16(20)23-15(13)9-17)10-3-5-11(6-4-10)18(21)22/h3-7H,8-9H2,1-2H3
InChIKey HGRFZLXQONESEK-UHFFFAOYSA-N
Molecular Weight 313.309 g/mol
SMILES C12=C(OC(C(=C2)c2ccc(N(=O)=O)cc2)=O)CC(CC1=O)(C)C
SPLASH splash10-06vi-5595000000-5644805116600ff28ef0
Source of Spectrum SO-0-226-4
Synonyms 7,7-Dimethyl-3-(4-nitrobenzyl)-5-oxo-5,6,7,8-tetrahydrocoumarin 7,7-Dimethyl-3-(4-nitrophenyl)-7,8-dihydro-2H-chromene-2,5(6H)-dione
Wiley ID 1537564