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2H-1-Benzopyran-2-one, 6-(2-chloro-3-methyl-3-butenyl)-7-methoxy-
SpectraBase Compound ID GZgJbkGhh1C
InChI InChI=1S/C15H15ClO3/c1-9(2)12(16)7-11-6-10-4-5-15(17)19-14(10)8-13(11)18-3/h4-6,8,12H,1,7H2,2-3H3
InChIKey LIYLUQFZADJEFI-UHFFFAOYSA-N
Mol Weight 278.73 g/mol
Molecular Formula C15H15ClO3
Exact Mass 278.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I854WU9T3Be
Name 2H-1-Benzopyran-2-one, 6-(2-chloro-3-methyl-3-butenyl)-7-methoxy-
Alternate Name(s) 6-(2'-Chloro-3'-methylbut-3'-enyl)-7-methoxycoumarin 6-(2-Chloro-3-methyl-3-butenyl)-7-methoxy-2H-chromen-2-one Isosuberenyl chloride
CAS Registry Number 74794-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15ClO3
InChI InChI=1S/C15H15ClO3/c1-9(2)12(16)7-11-6-10-4-5-15(17)19-14(10)8-13(11)18-3/h4-6,8,12H,1,7H2,2-3H3
InChIKey LIYLUQFZADJEFI-UHFFFAOYSA-N
Molecular Weight 278.735 g/mol
SMILES c12OC(=O)C=Cc2cc(CC(C(=C)C)Cl)c(c1)OC
SPLASH splash10-000i-0920000000-575967510f87cf87700e
Source of Spectrum B-33-409-0
Wiley ID 1281825