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(E)-(6-methyl-2,3-dihydro-4H-chromen-4-ylidene)methyl 4-bromobenzenesulfonate
SpectraBase Compound ID 5Ddp7ijR2RY
InChI InChI=1S/C17H15BrO4S/c1-12-2-7-17-16(10-12)13(8-9-21-17)11-22-23(19,20)15-5-3-14(18)4-6-15/h2-7,10-11H,8-9H2,1H3/b13-11+
InChIKey AIXYHZPQWVNPBG-ACCUITESSA-N
Mol Weight 395.27 g/mol
Molecular Formula C17H15BrO4S
Exact Mass 393.987443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JK5H2g0k01x
Name (E)-(6-methyl-2,3-dihydro-4H-chromen-4-ylidene)methyl 4-bromobenzenesulfonate
Alternate Name(s) (E)-(6-methylchroman-4-ylidene)methyl 4-bromobenzenesulfonate
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Formula C17H15BrO4S
InChI InChI=1S/C17H15BrO4S/c1-12-2-7-17-16(10-12)13(8-9-21-17)11-22-23(19,20)15-5-3-14(18)4-6-15/h2-7,10-11H,8-9H2,1H3/b13-11+
InChIKey AIXYHZPQWVNPBG-ACCUITESSA-N
Literature Reference DOI 10.1002/anie.201310280
Molecular Weight 395.267 g/mol
SMILES c1(S(O\C=C\2c3c(OCC2)ccc(c3)C)(=O)=O)ccc(cc1)Br
SPLASH splash10-004j-0904000000-cbe57311c839104de20b
Source of Spectrum ACI-53-SMS58-2q
Wiley ID 1782119