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Benzamide, N-[2-(acetyloxy)-6-bromocyclohexyl]-, (1.alpha.,2.alpha.,6.beta.)-(.+-.)-
SpectraBase Compound ID 1PPkNMrZBf
InChI InChI=1S/C15H18BrNO3/c1-10(18)20-13-9-5-8-12(16)14(13)17-15(19)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-9H2,1H3,(H,17,19)/t12-,13-,14+/m1/s1
InChIKey XSXYHAJFQALZBA-MCIONIFRSA-N
Mol Weight 340.22 g/mol
Molecular Formula C15H18BrNO3
Exact Mass 339.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UYTFHnfLpB
Name Benzamide, N-[2-(acetyloxy)-6-bromocyclohexyl]-, (1.alpha.,2.alpha.,6.beta.)-(.+-.)-
CAS Registry Number 123132-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrNO3
InChI InChI=1S/C15H18BrNO3/c1-10(18)20-13-9-5-8-12(16)14(13)17-15(19)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-9H2,1H3,(H,17,19)/t12-,13-,14+/m1/s1
InChIKey XSXYHAJFQALZBA-MCIONIFRSA-N
Molecular Weight 340.217 g/mol
SMILES N([C@@]1([C@](OC(=O)C)(CCC[C@]1(Br)[H])[H])[H])C(=O)c1ccccc1
SPLASH splash10-0a4j-0900000000-7752e03a828cf5629d0d
Source of Spectrum KC-1989-658-12
Synonyms (1R,2R,3R)-2-(benzoylamino)-3-bromocyclohexyl acetate 1,2-cis-2,3-trans-2-benzamido-3-bromocyclohexyl acetate
Wiley ID 1334342