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1-[N-(t-Butoxycarbonyl)pyrrolidin-2'-yl]-6-bromo-2-formyl-1,2,3,4-tetrahydro-.beta.-carboline
SpectraBase Compound ID Dcq7EzZNJ8A
InChI InChI=1S/C21H26BrN3O3/c1-21(2,3)28-20(27)25-9-4-5-17(25)19-18-14(8-10-24(19)12-26)15-11-13(22)6-7-16(15)23-18/h6-7,11-12,17,19,23H,4-5,8-10H2,1-3H3
InChIKey VBRNIPLKMCBEAZ-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C21H26BrN3O3
Exact Mass 447.115755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fegvn3LHDOv
Name 1-[N-(t-Butoxycarbonyl)pyrrolidin-2'-yl]-6-bromo-2-formyl-1,2,3,4-tetrahydro-.beta.-carboline
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Formula C21H26BrN3O3
InChI InChI=1S/C21H26BrN3O3/c1-21(2,3)28-20(27)25-9-4-5-17(25)19-18-14(8-10-24(19)12-26)15-11-13(22)6-7-16(15)23-18/h6-7,11-12,17,19,23H,4-5,8-10H2,1-3H3
InChIKey VBRNIPLKMCBEAZ-UHFFFAOYSA-N
Molecular Weight 448.361 g/mol
SMILES [nH]1c2ccc(cc2c2c1C(N(CC2)C=O)C1N(C(OC(C)(C)C)=O)CCC1)Br
SPLASH splash10-0229-9600000000-8a0eeb87ff91f0df19c5
Source of Spectrum D8-325-250-8
Synonyms tert-Butyl 2-(6-bromo-2-formyl-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl)-1-pyrrolidinecarboxylate
Wiley ID 1514357