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cis-1-Benzyl-1-hydroxymethylcyclopent-2-yl 4'-chlorobenzoate
SpectraBase Compound ID 4NQl23I1WUL
InChI InChI=1S/C20H21ClO3/c21-17-10-8-16(9-11-17)19(23)24-18-7-4-12-20(18,14-22)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18,22H,4,7,12-14H2/t18-,20+/m0/s1
InChIKey UDFWFTYNOURULR-AZUAARDMSA-N
Mol Weight 344.84 g/mol
Molecular Formula C20H21ClO3
Exact Mass 344.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dw8etLjYFmo
Name cis-1-Benzyl-1-hydroxymethylcyclopent-2-yl 4'-chlorobenzoate
Alternate Name(s) (1S,2R)-2-benzyl-2-(hydroxymethyl)cyclopentyl 4-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClO3
InChI InChI=1S/C20H21ClO3/c21-17-10-8-16(9-11-17)19(23)24-18-7-4-12-20(18,14-22)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18,22H,4,7,12-14H2/t18-,20+/m0/s1
InChIKey UDFWFTYNOURULR-AZUAARDMSA-N
Molecular Weight 344.838 g/mol
SMILES OC[C@]1([C@@](OC(c2ccc(cc2)Cl)=O)(CCC1)[H])Cc1ccccc1
SPLASH splash10-052o-3900000000-00ca15e74d792e2350db
Source of Spectrum QF-9-4307-2
Wiley ID 1558789