Debug Info

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9PAQZ3KfpbX
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9PAQZ3KfpbX
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name
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(1S,2S,3R)-3-(2-Bromo-benzoylamino)-cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester
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(1S,2S,3R)-3-(2-Bromo-benzoylamino)-cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester
SpectraBase Compound ID 9PAQZ3KfpbX
InChI InChI=1S/C19H22BrNO5/c1-3-25-18(23)13-9-7-11-15(16(13)19(24)26-4-2)21-17(22)12-8-5-6-10-14(12)20/h5-8,10-11,13,15-16H,3-4,9H2,1-2H3,(H,21,22)/t13-,15+,16-/m0/s1
InChIKey ZBMJXITWAHPVBL-IMJJTQAJSA-N
Mol Weight 424.29 g/mol
Molecular Formula C19H22BrNO5
Exact Mass 423.068136 g/mol
Enantiomer InChIKey ZBMJXITWAHPVBL-VNQPRFMTSA-N
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  • Diethyl (1S,2S,3R)-3-[(2-bromobenzoyl)amino]-4-cyclohexene-1,2-dicarboxylate
  • Diethyl 3-(2'-Bromobenzamido)cyclohex-4-ene-1,2-dicarboxylate

This compound is available in the following databases:

KnowItAll Mass Spectral Library

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Wiley Registry of Mass Spectral Data 2023

Author: Wiley

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