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Benzamide, N-[2-(benzoyloxy)-6-bromocyclohexyl]-, (1.alpha.,2.alpha.,6.beta.)-(.+-.)-
SpectraBase Compound ID 3dNsTlxpdL7
InChI InChI=1S/C20H20BrNO3/c21-16-12-7-13-17(25-20(24)15-10-5-2-6-11-15)18(16)22-19(23)14-8-3-1-4-9-14/h1-6,8-11,16-18H,7,12-13H2,(H,22,23)/t16-,17-,18+/m1/s1
InChIKey VPVRZESDHHXWKD-KURKYZTESA-N
Mol Weight 402.29 g/mol
Molecular Formula C20H20BrNO3
Exact Mass 401.062657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1x6rBDJVtca
Name Benzamide, N-[2-(benzoyloxy)-6-bromocyclohexyl]-, (1.alpha.,2.alpha.,6.beta.)-(.+-.)-
CAS Registry Number 116502-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20BrNO3
InChI InChI=1S/C20H20BrNO3/c21-16-12-7-13-17(25-20(24)15-10-5-2-6-11-15)18(16)22-19(23)14-8-3-1-4-9-14/h1-6,8-11,16-18H,7,12-13H2,(H,22,23)/t16-,17-,18+/m1/s1
InChIKey VPVRZESDHHXWKD-KURKYZTESA-N
Molecular Weight 402.288 g/mol
SMILES N([C@@]1([C@](OC(=O)c2ccccc2)(CCC[C@]1(Br)[H])[H])[H])C(=O)c1ccccc1
SPLASH splash10-0a4j-0910000000-8a84f6ae01cad69455b1
Source of Spectrum KC-1988-121-37
Synonyms (1R,2R,3R)-2-(benzoylamino)-3-bromocyclohexyl benzoate 1,2-cis-2,3-trans-2-benzamido-3-bromocyclohexyl benzoate
Wiley ID 1369936