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(2S,3aS,7R,7aR)-5,7-dibromo-3a-methoxy-6-oxo-2,3,7,7a-tetrahydro-1H-indole-2-carboxylic acid methyl ester
SpectraBase Compound ID 7Dph4X82FU8
InChI InChI=1S/C11H13Br2NO4/c1-17-10(16)6-4-11(18-2)3-5(12)8(15)7(13)9(11)14-6/h3,6-7,9,14H,4H2,1-2H3/t6-,7-,9-,11+/m0/s1
InChIKey XPKJPIMTEFXWTR-BGTQOLROSA-N
Mol Weight 383.04 g/mol
Molecular Formula C11H13Br2NO4
Exact Mass 380.921134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2L9vkGBNBO
Name (2S,3aS,7R,7aR)-5,7-dibromo-3a-methoxy-6-oxo-2,3,7,7a-tetrahydro-1H-indole-2-carboxylic acid methyl ester
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Formula C11H13Br2NO4
InChI InChI=1S/C11H13Br2NO4/c1-17-10(16)6-4-11(18-2)3-5(12)8(15)7(13)9(11)14-6/h3,6-7,9,14H,4H2,1-2H3/t6-,7-,9-,11+/m0/s1
InChIKey XPKJPIMTEFXWTR-BGTQOLROSA-N
Molecular Weight 383.036 g/mol
SMILES N1[C@@](C[C@]2([C@@]1([C@](C(C(=C2)Br)=O)(Br)[H])[H])OC)(C(=O)OC)[H]
SPLASH splash10-00di-0219000000-60762f8ec3863fd18895
Source of Spectrum KC-0-3119-5
Synonyms (2S,3aS,7R,7aR)-5,7-dibromo-6-keto-3a-methoxy-2,3,7,7a-tetrahydro-1H-indole-2-carboxylic acid methyl ester Methyl (2S,3aS,7R,7aR)-5,7-bis(bromanyl)-3a-methoxy-6-oxidanylidene-2,3,7,7a-tetrahydro-1H-indole-2-carboxylate Methyl (2S,3aS,7R,7aR)-5,7-dibromo-3a-methoxy-6-oxo-2,3,7,7a-tetrahydro-1H-indole-2-carboxylate
Wiley ID 780328