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1,3-Dioxolo[4,5-g]isoquinoline-5-methanol, .alpha.-(2-bromophenyl)-5,6,7,8-tetrahydro-6-methyl-, (R*,S*)-(.+-.)-
SpectraBase Compound ID HEtMeh8JBMT
InChI InChI=1S/C18H18BrNO3/c1-20-7-6-11-8-15-16(23-10-22-15)9-13(11)17(20)18(21)12-4-2-3-5-14(12)19/h2-5,8-9,17-18,21H,6-7,10H2,1H3/t17-,18+/m0/s1
InChIKey CIZQKQLBLUZOIN-ZWKOTPCHSA-N
Mol Weight 376.25 g/mol
Molecular Formula C18H18BrNO3
Exact Mass 375.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CHaVveAgEF
Name 1,3-Dioxolo[4,5-g]isoquinoline-5-methanol, .alpha.-(2-bromophenyl)-5,6,7,8-tetrahydro-6-methyl-, (R*,S*)-(.+-.)-
Alternate Name(s) (R)-(2-bromophenyl)[(5S)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanol 2-Bromo-.alpha.-(1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-isochinolinyl)benzyl-alcohol 2-Bromo-.alpha.-(1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-isoquinolinyl)benzyl-alcohol
CAS Registry Number 76525-20-7
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Formula C18H18BrNO3
InChI InChI=1S/C18H18BrNO3/c1-20-7-6-11-8-15-16(23-10-22-15)9-13(11)17(20)18(21)12-4-2-3-5-14(12)19/h2-5,8-9,17-18,21H,6-7,10H2,1H3/t17-,18+/m0/s1
InChIKey CIZQKQLBLUZOIN-ZWKOTPCHSA-N
Molecular Weight 376.250 g/mol
SMILES O[C@@]([C@@]1(c2c(cc3c(c2)OCO3)CCN1C)[H])(c1c(Br)cccc1)[H]
SPLASH splash10-0006-1900000000-221e13f0093d28c35c22
Source of Spectrum H-70-1375-0
Wiley ID 1357127