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Ethyl (1S,2S)-2-oxo-2-(2-(thiophen-2-yl)cyclopropyl)acetate
SpectraBase Compound ID sJedav2GPM
InChI InChI=1S/C11H12O3S/c1-2-14-11(13)10(12)8-6-7(8)9-4-3-5-15-9/h3-5,7-8H,2,6H2,1H3/t7-,8-/m0/s1
InChIKey ANQXGVPUKFYNJY-YUMQZZPRSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ejkz9xp065u
Name Ethyl (1S,2S)-2-oxo-2-(2-(thiophen-2-yl)cyclopropyl)acetate
Appearance Pale yellow oil
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Exact Mass 224.050715417 u
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-2-14-11(13)10(12)8-6-7(8)9-4-3-5-15-9/h3-5,7-8H,2,6H2,1H3/t7-,8-/m0/s1
InChIKey ANQXGVPUKFYNJY-YUMQZZPRSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 224.274 g/mol
Quality 178
Reported Formula C11H12O3S
SMILES C1([C@@]2([C@](C2)(C(C(=O)OCC)=O)[H])[H])=CC=CS1
SPLASH splash10-00di-1910000000-cb6b2597e0a5a76b038e
Source of Spectrum ACI-57-SM23-4c (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.50 (petroleum ether/EtOAc, 9:1)
Wiley ID 1893056