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1-Naphthacenecarbonitrile, 2-ethyl-1,2,3,4,6,11-hexahydro-5-hydroxy-7-methoxy-6,11-dioxo-
SpectraBase Compound ID HGfcy0SSVfA
InChI InChI=1S/C22H19NO4/c1-3-11-7-8-12-14(16(11)10-23)9-15-19(21(12)25)22(26)18-13(20(15)24)5-4-6-17(18)27-2/h4-6,9,11,16,25H,3,7-8H2,1-2H3
InChIKey HVBOPFGQUYTSBV-UHFFFAOYSA-N
Mol Weight 361.4 g/mol
Molecular Formula C22H19NO4
Exact Mass 361.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Gzd8iAGSnX
Name 1-Naphthacenecarbonitrile, 2-ethyl-1,2,3,4,6,11-hexahydro-5-hydroxy-7-methoxy-6,11-dioxo-
CAS Registry Number 111540-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO4
InChI InChI=1S/C22H19NO4/c1-3-11-7-8-12-14(16(11)10-23)9-15-19(21(12)25)22(26)18-13(20(15)24)5-4-6-17(18)27-2/h4-6,9,11,16,25H,3,7-8H2,1-2H3
InChIKey HVBOPFGQUYTSBV-UHFFFAOYSA-N
Molecular Weight 361.397 g/mol
SMILES Oc1c2C(c3c(OC)cccc3C(c2cc2c1CCC(CC)C2C#N)=O)=O
SPLASH splash10-0uxr-5019000000-0df61eca2bd0eaa4cca8
Source of Spectrum I-65-33-10
Synonyms 2-Ethyl-5-hydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenecarbonitrile 4-Methoxy-6-hydroxy-9-ethyl-10-cyano-7,8,9,10-tetrahydronaphthacene-dione
Wiley ID 1349068