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(3R,3aR)-1-(2-Bromo-4,5-methylenedioxybenzyl)-3-hydroxy-3,4,5,6-tetrahydro-1H-indol-2-one
SpectraBase Compound ID 8ZRFfPfy8ts
InChI InChI=1S/C16H16BrNO4/c17-11-6-14-13(21-8-22-14)5-9(11)7-18-12-4-2-1-3-10(12)15(19)16(18)20/h4-6,10,15,19H,1-3,7-8H2/t10-,15-/m1/s1
InChIKey ZGZLRHZIBVGYEX-MEBBXXQBSA-N
Mol Weight 366.21 g/mol
Molecular Formula C16H16BrNO4
Exact Mass 365.026271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FocRfxX3uN1
Name (3R,3aR)-1-(2-Bromo-4,5-methylenedioxybenzyl)-3-hydroxy-3,4,5,6-tetrahydro-1H-indol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrNO4
InChI InChI=1S/C16H16BrNO4/c17-11-6-14-13(21-8-22-14)5-9(11)7-18-12-4-2-1-3-10(12)15(19)16(18)20/h4-6,10,15,19H,1-3,7-8H2/t10-,15-/m1/s1
InChIKey ZGZLRHZIBVGYEX-MEBBXXQBSA-N
Molecular Weight 366.211 g/mol
SMILES O[C@]1(C(N(C=2[C@]1(CCCC2)[H])Cc1c(cc2c(c1)OCO2)Br)=O)[H]
SPLASH splash10-000i-0090000000-70169a201e334a9911da
Source of Spectrum F-52-10577-10
Synonyms (3R,3aR)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-1,3,3a,4,5,6-hexahydro-2H-indol-2-one 1-(2-Bromo-4,5-methylenedioxybenzyl)-3-hydroxy-3,4,5,6-tetrahydro-1H-indol-2-one (3R,3aR)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-oxidanyl-3a,4,5,6-tetrahydro-3H-indol-2-one
Wiley ID 797916