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1-(tert-Butylcarbonyl)-trans-2-(4-chlorophenyl)-cis-3-phenylcyclopropane
SpectraBase Compound ID 95npDuuWqid
InChI InChI=1S/C20H21ClO/c1-20(2,3)19(22)18-16(13-7-5-4-6-8-13)17(18)14-9-11-15(21)12-10-14/h4-12,16-18H,1-3H3/t16-,17-,18-/m1/s1
InChIKey JKGGWTCOEUASDH-KZNAEPCWSA-N
Mol Weight 312.84 g/mol
Molecular Formula C20H21ClO
Exact Mass 312.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMamgfkKpA6
Name 1-(tert-Butylcarbonyl)-trans-2-(4-chlorophenyl)-cis-3-phenylcyclopropane
Alternate Name(s) 1-[(1R,2R,3R)-2-(4-chlorophenyl)-3-phenylcyclopropyl]-2,2-dimethyl-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClO
InChI InChI=1S/C20H21ClO/c1-20(2,3)19(22)18-16(13-7-5-4-6-8-13)17(18)14-9-11-15(21)12-10-14/h4-12,16-18H,1-3H3/t16-,17-,18-/m1/s1
InChIKey JKGGWTCOEUASDH-KZNAEPCWSA-N
Molecular Weight 312.840 g/mol
SMILES [C@]1([C@](c2ccc(cc2)Cl)([C@]1(c1ccccc1)[H])[H])(C(C(C)(C)C)=O)[H]
SPLASH splash10-0a4i-9530000000-dace16d8b112e8628660
Source of Spectrum J-62-959-7
Wiley ID 1313671