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(1S,2R,3R)-2-tert-Butoxy-3-phenylcyclopropyl)ethanoic acid
SpectraBase Compound ID JiqGFs9CmhV
InChI InChI=1S/C15H20O3/c1-15(2,3)18-14-11(9-12(16)17)13(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3,(H,16,17)/t11-,13-,14+/m0/s1
InChIKey YYUPNWBDTFCAEL-FPMFFAJLSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCtR6CvLpzt
Name (1S,2R,3R)-2-tert-Butoxy-3-phenylcyclopropyl)ethanoic acid
Alternate Name(s) (trans,trans-2-tert-Butoxy-3-phenylcyclopropyl)ethanoic acid [(1S,2R,3R)-2-tert-butoxy-3-phenylcyclopropyl]acetic acid
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Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-15(2,3)18-14-11(9-12(16)17)13(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3,(H,16,17)/t11-,13-,14+/m0/s1
InChIKey YYUPNWBDTFCAEL-FPMFFAJLSA-N
Molecular Weight 248.322 g/mol
SMILES OC(C[C@@]1([C@]([C@]1(c1ccccc1)[H])(OC(C)(C)C)[H])[H])=O
SPLASH splash10-0a4i-7900000000-4d4e45ffd6d60843a271
Source of Spectrum KC-20-1471-8
Wiley ID 822116