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Methyl 6-[(E)-2-(4-Bromophenyl)vinyl]-5,7-dimethylchromane-8-carboxylate
SpectraBase Compound ID Ek66Oq2IgY9
InChI InChI=1S/C21H21BrO3/c1-13-17(11-8-15-6-9-16(22)10-7-15)14(2)19(21(23)24-3)20-18(13)5-4-12-25-20/h6-11H,4-5,12H2,1-3H3/b11-8+
InChIKey NQRQUYGIWFFSAT-DHZHZOJOSA-N
Mol Weight 401.3 g/mol
Molecular Formula C21H21BrO3
Exact Mass 400.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94sg0ejy8SP
Name Methyl 6-[(E)-2-(4-Bromophenyl)vinyl]-5,7-dimethylchromane-8-carboxylate
Alternate Name(s) 6-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethyl-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid methyl ester Methyl 6-[(E)-2-(4-bromophenyl)vinyl]-5,7-dimethyl-chromane-8-carboxylate Methyl 6-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethyl-3,4-dihydro-2H-chromene-8-carboxylate
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Formula C21H21BrO3
InChI InChI=1S/C21H21BrO3/c1-13-17(11-8-15-6-9-16(22)10-7-15)14(2)19(21(23)24-3)20-18(13)5-4-12-25-20/h6-11H,4-5,12H2,1-3H3/b11-8+
InChIKey NQRQUYGIWFFSAT-DHZHZOJOSA-N
Molecular Weight 401.300 g/mol
SMILES c1(c2c(CCCO2)c(c(c1C)\C=C\c1ccc(cc1)Br)C)C(=O)OC
SPLASH splash10-0udi-0004900000-dc44a380020c6b1c6d0e
Source of Spectrum U1-2010-3748-10b
Wiley ID 1710811