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3-(3-ketobutyl)-4-(5-methyl-2-furyl)-7-nitro-isocoumarin
SpectraBase Compound ID BpzceES9wVs
InChI InChI=1S/C18H15NO6/c1-10(20)3-7-16-17(15-8-4-11(2)24-15)13-6-5-12(19(22)23)9-14(13)18(21)25-16/h4-6,8-9H,3,7H2,1-2H3
InChIKey KKWNLHZKHRDEQF-UHFFFAOYSA-N
Mol Weight 341.32 g/mol
Molecular Formula C18H15NO6
Exact Mass 341.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yCuIhwrLPG
Name 3-(3-ketobutyl)-4-(5-methyl-2-furyl)-7-nitro-isocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO6
InChI InChI=1S/C18H15NO6/c1-10(20)3-7-16-17(15-8-4-11(2)24-15)13-6-5-12(19(22)23)9-14(13)18(21)25-16/h4-6,8-9H,3,7H2,1-2H3
InChIKey KKWNLHZKHRDEQF-UHFFFAOYSA-N
Molecular Weight 341.319 g/mol
SMILES C1(c2oc(C)cc2)=C(OC(c2c1ccc(N(=O)=O)c2)=O)CCC(=O)C
SPLASH splash10-0006-3039000000-4bd8c7d7be3b7f4cc64b
Source of Spectrum AJ-43-1201-6
Synonyms 4-(5-Methyl-2-furanyl)-7-nitro-3-(3-oxobutyl)-2-benzopyran-1-one 4-(5-Methyl-2-furyl)-7-nitro-3-(3-oxobutyl)isochromen-1-one 4-(5-Methylfuran-2-yl)-7-nitro-3-(3-oxidanylidenebutyl)isochromen-1-one 4-(5-Methylfuran-2-yl)-7-nitro-3-(3-oxobutyl)isochromen-1-one
Wiley ID 1594224