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Ethyl (1S,2S)-2-(2-(4-methoxyphenyl)cyclopropyl)-2-oxoacetate
SpectraBase Compound ID G6mCfNLMQum
InChI InChI=1S/C14H16O4/c1-3-18-14(16)13(15)12-8-11(12)9-4-6-10(17-2)7-5-9/h4-7,11-12H,3,8H2,1-2H3/t11-,12+/m1/s1
InChIKey HMYUCEBEUAQOLF-NEPJUHHUSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5LcgySqPRO
Name Ethyl (1S,2S)-2-(2-(4-methoxyphenyl)cyclopropyl)-2-oxoacetate
Appearance Pale yellow solid
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Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-3-18-14(16)13(15)12-8-11(12)9-4-6-10(17-2)7-5-9/h4-7,11-12H,3,8H2,1-2H3/t11-,12+/m1/s1
InChIKey HMYUCEBEUAQOLF-NEPJUHHUSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 248.278 g/mol
Quality 134
Reported Formula C14H16O4
SMILES C=1([C@@]2([C@](C2)(C(C(=O)OCC)=O)[H])[H])C=CC(=CC1)OC
SPLASH splash10-0002-1910000000-db5381462ffaa2c8ea42
Source of Spectrum ACI-57-SM22-4a (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.40 (petroleum ether/EtOAc, 8:2)
Wiley ID 1893054