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Ethyl cis-1-(2-hydroxypropan-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
SpectraBase Compound ID FtHanwzP8ST
InChI InChI=1S/C16H22O4/c1-5-20-14(17)16(15(2,3)18)10-13(16)11-6-8-12(19-4)9-7-11/h6-9,13,18H,5,10H2,1-4H3/t13-,16+/m0/s1
InChIKey JPCBFYPXIBMFPZ-XJKSGUPXSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRyFrR8K8Vq
Name Ethyl cis-1-(2-hydroxypropan-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
Appearance Colorless oil
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Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-5-20-14(17)16(15(2,3)18)10-13(16)11-6-8-12(19-4)9-7-11/h6-9,13,18H,5,10H2,1-4H3/t13-,16+/m0/s1
InChIKey JPCBFYPXIBMFPZ-XJKSGUPXSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 278.348 g/mol
Optical Rotation [a]D21 = -35.9 (c = 1.0, CHCl3)
Quality 156
SMILES OC([C@]1([C@@](C1)(C=1C=CC(=CC1)OC)[H])C(=O)OCC)(C)C
SPLASH splash10-000i-0900000000-27949b593b7756f48c76
Source of Spectrum C-144-SM54-9e (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910642