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2-Bromo-6-methyl-8-(methoxycarbonylmethyl)ergoline
SpectraBase Compound ID 9pluGhllDWY
InChI InChI=1S/C18H21BrN2O2/c1-21-9-10(7-16(22)23-2)6-12-11-4-3-5-14-17(11)13(8-15(12)21)18(19)20-14/h3-5,10,12,15,20H,6-9H2,1-2H3
InChIKey LTXIGEWABAXPQB-UHFFFAOYSA-N
Mol Weight 377.28 g/mol
Molecular Formula C18H21BrN2O2
Exact Mass 376.078641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 249iRjt176M
Name 2-Bromo-6-methyl-8-(methoxycarbonylmethyl)ergoline
Alternate Name(s) Methyl (2-bromo-6-methylergolin-8-yl)acetate
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Formula C18H21BrN2O2
InChI InChI=1S/C18H21BrN2O2/c1-21-9-10(7-16(22)23-2)6-12-11-4-3-5-14-17(11)13(8-15(12)21)18(19)20-14/h3-5,10,12,15,20H,6-9H2,1-2H3
InChIKey LTXIGEWABAXPQB-UHFFFAOYSA-N
Molecular Weight 377.282 g/mol
SMILES [nH]1c2cccc3c2c(c1Br)CC1C3CC(CN1C)CC(=O)OC
SPLASH splash10-004i-0049000000-bb9172a2fa853efd47f7
Source of Spectrum SO-0-139-1
Wiley ID 1539226