Ethyl (1R,1aR,6bS)-3-((1S,2S)-2-(ethoxycarbonyl)cyclopropyl)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate

SpectraBase Compound ID	Dyr1FyG7sGr
InChI	InChI=1S/C18H20O5/c1-3-21-17(19)12-8-11(12)9-6-5-7-10-13-14(18(20)22-4-2)16(13)23-15(9)10/h5-7,11-14,16H,3-4,8H2,1-2H3/t11-,12+,13-,14-,16-/m1/s1
InChIKey	QEQUWXQYYAVWFP-JTTNIQEDSA-N Google Search
Mol Weight	316.35 g/mol
Molecular Formula	C18H20O5
Exact Mass	316.131074 g/mol

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SpectraBase Spectrum ID	EHn3QWDqGd9
Name	Ethyl (1R,1aR,6bS)-3-((1S,2S)-2-(ethoxycarbonyl)cyclopropyl)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
Appearance	White solid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H20O5
InChI	InChI=1S/C18H20O5/c1-3-21-17(19)12-8-11(12)9-6-5-7-10-13-14(18(20)22-4-2)16(13)23-15(9)10/h5-7,11-14,16H,3-4,8H2,1-2H3/t11-,12+,13-,14-,16-/m1/s1
InChIKey	QEQUWXQYYAVWFP-JTTNIQEDSA-N
Instrument Name	GCMS
Ionization Type	EI
Literature Reference DOI	10.1002/anie.201903455
Molecular Weight	316.353 g/mol
SMILES	c1cc([C@]2(C[C@@]2(C(OCC)=O)[H])[H])c2O[C@@]3([H])[C@](C(OCC)=O)([C@@]3([H])c2c1)[H]
SPLASH	splash10-00kf-0490000000-3465d541270e2e7ffd71
Sample Comments	>99.9% de, >99.9% ee
Source of Spectrum	ACI-58-SM34-5k
Wiley ID	1875365