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4-[(1R,2R)-2-butylcyclopropyl]benzoic acid methyl ester
SpectraBase Compound ID CaSMEOVaEge
InChI InChI=1S/C15H20O2/c1-3-4-5-13-10-14(13)11-6-8-12(9-7-11)15(16)17-2/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+/m1/s1
InChIKey CBSFRTGCEHULTP-KGLIPLIRSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mwO26DtN3q
Name 4-[(1R,2R)-2-butylcyclopropyl]benzoic acid methyl ester
Alternate Name(s) Methyl 4-[(1R,2R)-2-butylcyclopropyl]benzoate
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Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-3-4-5-13-10-14(13)11-6-8-12(9-7-11)15(16)17-2/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+/m1/s1
InChIKey CBSFRTGCEHULTP-KGLIPLIRSA-N
Molecular Weight 232.323 g/mol
SMILES [C@@]1(C[C@]1(CCCC)[H])(c1ccc(C(=O)OC)cc1)[H]
SPLASH splash10-001i-1930000000-21221d1b4ab111fdb4e3
Source of Spectrum KC-0-2664-0
Wiley ID 786681