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1H-3-Benzazepine, 7-bromo-2,3,4,5-tetrahydro-8-methoxy-3-(methyl-D3)-1-phenyl-, (R)-
SpectraBase Compound ID 9H28WPphgol
InChI InChI=1S/C18H20BrNO/c1-20-9-8-14-10-17(19)18(21-2)11-15(14)16(12-20)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1/i1D3
InChIKey TVPROERJSGRCGZ-JOTALGBPSA-N
Mol Weight 349.29 g/mol
Molecular Formula C18H172D3BrNO
Exact Mass 348.091658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7YuERrS14f
Name 1H-3-Benzazepine, 7-bromo-2,3,4,5-tetrahydro-8-methoxy-3-(methyl-D3)-1-phenyl-, (R)-
Alternate Name(s) (R)-7-Bromo-8-methoxy-3-[(2)H(3)]methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CAS Registry Number 116801-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17D3BrNO
InChI InChI=1S/C18H20BrNO/c1-20-9-8-14-10-17(19)18(21-2)11-15(14)16(12-20)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9,12H2,1-2H3/t16-/m1/s1/i1D3
InChIKey TVPROERJSGRCGZ-JOTALGBPSA-N
Molecular Weight 349.286 g/mol
SMILES C1N(CCc2c([C@]1(c1ccccc1)[H])cc(c(c2)Br)OC)C([2D])([2D])[2D]
SPLASH splash10-0a4i-0192000000-70533dce01eecce2175b
Source of Spectrum JC-407-39-2
Wiley ID 1338633