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(1R*,3R*)-Formic acid 3-bromo-1-cyclohexyl-3-phenylpropyl ester
SpectraBase Compound ID Lbe333GqmEv
InChI InChI=1S/C16H21BrO2/c17-15(13-7-3-1-4-8-13)11-16(19-12-18)14-9-5-2-6-10-14/h1,3-4,7-8,12,14-16H,2,5-6,9-11H2/t15-,16-/m1/s1
InChIKey MDOCDVPACXQLJG-HZPDHXFCSA-N
Mol Weight 325.25 g/mol
Molecular Formula C16H21BrO2
Exact Mass 324.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvQnFv9rCqO
Name (1R*,3R*)-Formic acid 3-bromo-1-cyclohexyl-3-phenylpropyl ester
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Formula C16H21BrO2
InChI InChI=1S/C16H21BrO2/c17-15(13-7-3-1-4-8-13)11-16(19-12-18)14-9-5-2-6-10-14/h1,3-4,7-8,12,14-16H,2,5-6,9-11H2/t15-,16-/m1/s1
InChIKey MDOCDVPACXQLJG-HZPDHXFCSA-N
Molecular Weight 325.246 g/mol
SMILES C([C@](c1ccccc1)(Br)[H])[C@](C1CCCCC1)(OC=O)[H]
SPLASH splash10-00kb-3920000000-81dce6b442b025bca9c1
Source of Spectrum KC-0-720-49
Synonyms (1R,3R)-3-bromo-1-cyclohexyl-3-phenylpropyl formate formic acid [(1R,3R)-3-bromo-1-cyclohexyl-3-phenylpropyl] ester [(1R,3R)-3-bromo-1-cyclohexyl-3-phenylpropyl] formate [(1R,3R)-3-bromo-1-cyclohexyl-3-phenyl-propyl] formate [(1R,3R)-3-bromanyl-1-cyclohexyl-3-phenyl-propyl] methanoate
Wiley ID 830112