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Ethyl cis-1-benzyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
SpectraBase Compound ID 8pIcfCbf5Kg
InChI InChI=1S/C20H22O3/c1-3-23-19(21)20(13-15-7-5-4-6-8-15)14-18(20)16-9-11-17(22-2)12-10-16/h4-12,18H,3,13-14H2,1-2H3/t18-,20-/m0/s1
InChIKey HKIDQKOOIOBESC-ICSRJNTNSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAF6cL4OeyX
Name Ethyl cis-1-benzyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.156894565 u
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-3-23-19(21)20(13-15-7-5-4-6-8-15)14-18(20)16-9-11-17(22-2)12-10-16/h4-12,18H,3,13-14H2,1-2H3/t18-,20-/m0/s1
InChIKey HKIDQKOOIOBESC-ICSRJNTNSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 310.393 g/mol
Optical Rotation [a]D20 = -51.3 (c = 1.0, CHCl3)
Quality 182
SMILES [C@]1([C@@](C1)(C=1C=CC(=CC1)OC)[H])(CC1=CC=CC=C1)C(=O)OCC
SPLASH splash10-0002-2920000000-4ffe15bbb24d21b6a832
Source of Spectrum C-144-SM53-9b (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910640