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Methyl (+,-)-[1.alpha.(S*),2.beta.(S*)]-(E)-.alpha.-(2-phenylethenyl)-2-(1-bromoethyl)-3-cyclopentene-1-ethanoate
SpectraBase Compound ID 9bIj5z3ZR3U
InChI InChI=1S/C18H21BrO2/c1-13(19)15-9-6-10-16(15)17(18(20)21-2)12-11-14-7-4-3-5-8-14/h3-9,11-13,15-17H,10H2,1-2H3/b12-11+/t13-,15+,16+,17?/m0/s1
InChIKey BPFWYBMCNISHGP-CQIKZSIZSA-N
Mol Weight 349.27 g/mol
Molecular Formula C18H21BrO2
Exact Mass 348.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46VYuMFlbNK
Name Methyl (+,-)-[1.alpha.(S*),2.beta.(S*)]-(E)-.alpha.-(2-phenylethenyl)-2-(1-bromoethyl)-3-cyclopentene-1-ethanoate
Alternate Name(s) Methyl (3E)-2-{(1S,2S)-2-[(1S)-1-bromoethyl]-3-cyclopenten-1-yl}-4-phenyl-3-butenoate
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Formula C18H21BrO2
InChI InChI=1S/C18H21BrO2/c1-13(19)15-9-6-10-16(15)17(18(20)21-2)12-11-14-7-4-3-5-8-14/h3-9,11-13,15-17H,10H2,1-2H3/b12-11+/t13-,15+,16+,17?/m0/s1
InChIKey BPFWYBMCNISHGP-CQIKZSIZSA-N
Molecular Weight 349.268 g/mol
SMILES C([C@]1([C@](C=CC1)([C@@](Br)(C)[H])[H])[H])(\C=C\c1ccccc1)C(=O)OC
SPLASH splash10-00mo-7920000000-7e0743b5a9b7e0be4e76
Source of Spectrum J-54-692-14
Wiley ID 1340518