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4-Bromo-10-[2-(3,4-dimethoxy-phenyl)-ethyl]-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-11-thione

View entire compound with spectra: 1 MS (GC)

4-Bromo-10-[2-(3,4-dimethoxy-phenyl)-ethyl]-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-11-thione
SpectraBase Compound ID JzHlRn02Yr7
InChI InChI=1S/C21H23BrN2O3S/c1-21-12-16(15-11-14(22)5-7-17(15)27-21)23-20(28)24(21)9-8-13-4-6-18(25-2)19(10-13)26-3/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,23,28)
InChIKey DKAJDBOQVDKUDY-UHFFFAOYSA-N
Mol Weight 463.39 g/mol
Molecular Formula C21H23BrN2O3S
Exact Mass 462.061277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2N9krhKABIL
Name 4-Bromo-10-[2-(3,4-dimethoxy-phenyl)-ethyl]-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-11-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23BrN2O3S
InChI InChI=1S/C21H23BrN2O3S/c1-21-12-16(15-11-14(22)5-7-17(15)27-21)23-20(28)24(21)9-8-13-4-6-18(25-2)19(10-13)26-3/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,23,28)
InChIKey DKAJDBOQVDKUDY-UHFFFAOYSA-N
Molecular Weight 463.390 g/mol
SMILES N1C(N(C2(CC1c1cc(ccc1O2)Br)C)CCc1cc(OC)c(cc1)OC)=S
SPLASH splash10-03di-4910000000-83a424e059a4a9b95869
Wiley ID 1445001