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Isoquinoline, 1-(2-bromo-5-methoxyphenyl)-6,7-dimethoxy-
SpectraBase Compound ID HaGNcSVzsKB
InChI InChI=1S/C18H16BrNO3/c1-21-12-4-5-15(19)14(9-12)18-13-10-17(23-3)16(22-2)8-11(13)6-7-20-18/h4-10H,1-3H3
InChIKey SMYCNNHDZITGIG-UHFFFAOYSA-N
Mol Weight 374.23 g/mol
Molecular Formula C18H16BrNO3
Exact Mass 373.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UftGANy90H
Name Isoquinoline, 1-(2-bromo-5-methoxyphenyl)-6,7-dimethoxy-
Alternate Name(s) 1-(2'-Bromo-5'-methoxyphenyl)-6,7-dimethoxyisoquinoline 1-(2-bromo-5-methoxyphenyl)-6,7-dimethoxyisoquinoline
CAS Registry Number 88741-61-1
Comments Less than 3 mono-isotopic peaks
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Formula C18H16BrNO3
InChI InChI=1S/C18H16BrNO3/c1-21-12-4-5-15(19)14(9-12)18-13-10-17(23-3)16(22-2)8-11(13)6-7-20-18/h4-10H,1-3H3
InChIKey SMYCNNHDZITGIG-UHFFFAOYSA-N
Molecular Weight 374.234 g/mol
SMILES c1(-c2c(ccc(c2)OC)Br)c2cc(OC)c(cc2ccn1)OC
SPLASH splash10-0096-0069000000-195bf16e2487791749bb
Source of Spectrum F-39-3265-0
Wiley ID 1356031