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4-bromobenzoic acid (4-keto-2-methyl-chroman-5-yl) ester
SpectraBase Compound ID 3LoR0BG6PWi
InChI InChI=1S/C17H13BrO4/c1-10-9-13(19)16-14(21-10)3-2-4-15(16)22-17(20)11-5-7-12(18)8-6-11/h2-8,10H,9H2,1H3
InChIKey OLVXGCDSVAJCFX-UHFFFAOYSA-N
Mol Weight 361.19 g/mol
Molecular Formula C17H13BrO4
Exact Mass 359.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZmzpHkS0r2
Name (2-methyl-4-oxidanylidene-2,3-dihydrochromen-5-yl) 4-bromanylbenzoate
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Formula C17H13BrO4
InChI InChI=1S/C17H13BrO4/c1-10-9-13(19)16-14(21-10)3-2-4-15(16)22-17(20)11-5-7-12(18)8-6-11/h2-8,10H,9H2,1H3
InChIKey OLVXGCDSVAJCFX-UHFFFAOYSA-N
Molecular Weight 361.191 g/mol
SMILES C(c1ccc(cc1)Br)(=O)Oc1c2C(CC(Oc2ccc1)C)=O
SPLASH splash10-052r-0902000000-a242df3d25d9d7827a65
Source of Spectrum K1-0-3505-5
Synonyms (2-methyl-4-oxo-chroman-5-yl) 4-bromobenzoate 4-Bromobenzoic acid (2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl) ester 4-Bromobenzoic acid (4-keto-2-methyl-chroman-5-yl) ester
Wiley ID 1589300