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4-(5-tert-butyl-2-furanyl)-7-chloro-3-(4,4-dimethyl-3-oxopentyl)-2-benzopyran-1-one
SpectraBase Compound ID DaT8Gq4vMGX
InChI InChI=1S/C24H27ClO4/c1-23(2,3)19(26)11-9-18-21(17-10-12-20(28-17)24(4,5)6)15-8-7-14(25)13-16(15)22(27)29-18/h7-8,10,12-13H,9,11H2,1-6H3
InChIKey BBNVPITZFWNACI-UHFFFAOYSA-N
Mol Weight 414.93 g/mol
Molecular Formula C24H27ClO4
Exact Mass 414.159787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Vvqv8dqhzx
Name 4-(5-tert-butyl-2-furanyl)-7-chloro-3-(4,4-dimethyl-3-oxopentyl)-2-benzopyran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27ClO4
InChI InChI=1S/C24H27ClO4/c1-23(2,3)19(26)11-9-18-21(17-10-12-20(28-17)24(4,5)6)15-8-7-14(25)13-16(15)22(27)29-18/h7-8,10,12-13H,9,11H2,1-6H3
InChIKey BBNVPITZFWNACI-UHFFFAOYSA-N
Molecular Weight 414.929 g/mol
SMILES C1(c2oc(C(C)(C)C)cc2)=C(OC(c2c1ccc(Cl)c2)=O)CCC(C(C)(C)C)=O
SPLASH splash10-0a4i-1009200000-375726b4dd0429bb5136
Source of Spectrum AJ-43-1202-6
Synonyms 4-(5-tert-butyl-2-furyl)-7-chloro-3-(3-keto-4,4-dimethyl-pentyl)isocoumarin 4-(5-tert-butyl-2-furyl)-7-chloro-3-(4,4-dimethyl-3-oxo-pentyl)isochromen-1-one 4-(5-tert-butylfuran-2-yl)-7-chloranyl-3-(4,4-dimethyl-3-oxidanylidene-pentyl)isochromen-1-one 4-(5-tert-butylfuran-2-yl)-7-chloro-3-(4,4-dimethyl-3-oxopentyl)isochromen-1-one
Wiley ID 1594282