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cis- and trans-1-Ethoxalyl-2-phenylcyclopropane
SpectraBase Compound ID 7SWMahJj0l
InChI InChI=1S/C13H14O3/c1-2-16-13(15)12(14)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11-/m0/s1
InChIKey QHBHHQVGJASRKA-QWRGUYRKSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1P1BmVATKgt
Name cis- and trans-1-Ethoxalyl-2-phenylcyclopropane
Alternate Name(s) ethyl oxo[(1S,2R)-2-phenylcyclopropyl]acetate
CAS Registry Number 55674-19-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-2-16-13(15)12(14)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11-/m0/s1
InChIKey QHBHHQVGJASRKA-QWRGUYRKSA-N
Molecular Weight 218.252 g/mol
SMILES [C@@]1([C@](c2ccccc2)(C1)[H])(C(C(=O)OCC)=O)[H]
SPLASH splash10-0002-0920000000-3bff08d679437fa247df
Source of Spectrum J-45-5302-0
Wiley ID 1217679