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2-[(3S,3aS)-1-(2-bromobenzyl)-2-keto-3a-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester
SpectraBase Compound ID LWR8PoPUQPo
InChI InChI=1S/C19H22BrNO3/c1-19-10-6-5-9-16(19)21(12-13-7-3-4-8-15(13)20)18(23)14(19)11-17(22)24-2/h3-4,7-9,14H,5-6,10-12H2,1-2H3/t14-,19+/m1/s1
InChIKey BBSVSJXARMABIT-KUHUBIRLSA-N
Mol Weight 392.29 g/mol
Molecular Formula C19H22BrNO3
Exact Mass 391.078307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90Y1x5cG2gh
Name 2-[(3S,3aS)-1-(2-bromobenzyl)-2-keto-3a-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester
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Formula C19H22BrNO3
InChI InChI=1S/C19H22BrNO3/c1-19-10-6-5-9-16(19)21(12-13-7-3-4-8-15(13)20)18(23)14(19)11-17(22)24-2/h3-4,7-9,14H,5-6,10-12H2,1-2H3/t14-,19+/m1/s1
InChIKey BBSVSJXARMABIT-KUHUBIRLSA-N
Molecular Weight 392.293 g/mol
SMILES C1(N(C=2[C@]([C@@]1(CC(=O)OC)[H])(CCCC2)C)Cc1c(Br)cccc1)=O
SPLASH splash10-03di-0439000000-bebde3d993009e793e5b
Source of Spectrum AT-42-7826-9
Synonyms 2-[(3S,3aS)-1-[(2-bromophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester Methyl 2-[(3S,3aS)-1-[(2-bromophenyl)methyl]-3a-methyl-2-oxidanylidene-3,4,5,6-tetrahydroindol-3-yl]ethanoate Methyl 2-[(3S,3aS)-1-[(2-bromophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-3-yl]acetate
Wiley ID 855255