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5R*-(Chloromethyl)-2S*-phenylcyclopentane-1S*-acetic acid ethyl ester
SpectraBase Compound ID 72kPKEw8cBf
InChI InChI=1S/C16H21ClO2/c1-2-19-16(18)10-15-13(11-17)8-9-14(15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3/t13-,14-,15+/m1/s1
InChIKey WXDFOBGIGBSFCR-KFWWJZLASA-N
Mol Weight 280.8 g/mol
Molecular Formula C16H21ClO2
Exact Mass 280.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RnvEkEtwkj
Name 5R*-(Chloromethyl)-2S*-phenylcyclopentane-1S*-acetic acid ethyl ester
Alternate Name(s) ((1R,2S,5S)-2-Chloromethyl-5-phenyl-cyclopentyl)-acetic acid ethyl ester Ethyl[(1S,2R,5S)-2-(chloromethyl)-5-phenylcyclopentyl]acetate
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Formula C16H21ClO2
InChI InChI=1S/C16H21ClO2/c1-2-19-16(18)10-15-13(11-17)8-9-14(15)12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3/t13-,14-,15+/m1/s1
InChIKey WXDFOBGIGBSFCR-KFWWJZLASA-N
Molecular Weight 280.795 g/mol
SMILES [C@@]1([C@](CC[C@@]1(CCl)[H])(c1ccccc1)[H])(CC(=O)OCC)[H]
SPLASH splash10-0006-2910000000-54cc24d38865fd7ab358
Source of Spectrum F-54-15537-31
Wiley ID 809958