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6-Bromo-3a,8-bis(3-methyl-2-buten-1-yl)-2-oxo-2,3,3a,8a-tetrahydro-8H-pyrrolo[2,3-b]indole Flustramide B

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6-Bromo-3a,8-bis(3-methyl-2-buten-1-yl)-2-oxo-2,3,3a,8a-tetrahydro-8H-pyrrolo[2,3-b]indole Flustramide B
SpectraBase Compound ID 41Zpdimd90B
InChI InChI=1S/C21H27BrN2O/c1-14(2)8-10-21-13-19(25)23(5)20(21)24(11-9-15(3)4)18-12-16(22)6-7-17(18)21/h6-9,12,20H,10-11,13H2,1-5H3
InChIKey UKUFKGOAWMVCIL-UHFFFAOYSA-N
Mol Weight 403.36 g/mol
Molecular Formula C21H27BrN2O
Exact Mass 402.130676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VHOLIvh8rc
Name 6-Bromo-3A,8-bis(3-methyl-2-buten-1-yl)-2-oxo-2,3,3A,8A-tetrahydro-8H-pyrrolo[2,3-B]indole flustramide B
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.130676496 u
Formula C21H27BrN2O
InChI InChI=1S/C21H27BrN2O/c1-14(2)8-10-21-13-19(25)23(5)20(21)24(11-9-15(3)4)18-12-16(22)6-7-17(18)21/h6-9,12,20H,10-11,13H2,1-5H3
InChIKey UKUFKGOAWMVCIL-UHFFFAOYSA-N
Molecular Weight 403.364 g/mol
SMILES C12C(C3=CC=C(C=C3N2CC=C(C)C)Br)(CC(N1C)=O)CC=C(C)C