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[(1S,2R,5S)-2-(methylethyl)-5-methylcyclohex-1-yl] (2S)-bromopropionate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

[(1S,2R,5S)-2-(methylethyl)-5-methylcyclohex-1-yl] (2S)-bromopropionate
SpectraBase Compound ID Gvuzn1XpJ3g
InChI InChI=1S/C13H23BrO2/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12H,5-7H2,1-4H3/t9-,10-,11+,12-/m0/s1
InChIKey RNCGMTRWXSQKME-YFKTTZPYSA-N
Mol Weight 291.23 g/mol
Molecular Formula C13H23BrO2
Exact Mass 290.088143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7Na6y1cy23
Name [(1S,2R,5S)-2-(methylethyl)-5-methylcyclohex-1-yl] (2S)-bromopropionate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23BrO2
InChI InChI=1S/C13H23BrO2/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12H,5-7H2,1-4H3/t9-,10-,11+,12-/m0/s1
InChIKey RNCGMTRWXSQKME-YFKTTZPYSA-N
Molecular Weight 291.229 g/mol
SMILES [C@]1(OC(=O)[C@@](Br)(C)[H])([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-001s-9300000000-a0e853b48e6eb0851352
Source of Spectrum F-53-12954-9
Synonyms (1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (2S)-2-bromopropanoate
Wiley ID 803783