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cis-1-Hydroxymethyl-1-phenylcyclopent-2-yl 3'-chlorobenzoate
SpectraBase Compound ID 5LJDUN5XjlE
InChI InChI=1S/C19H19ClO3/c20-16-9-4-6-14(12-16)18(22)23-17-10-5-11-19(17,13-21)15-7-2-1-3-8-15/h1-4,6-9,12,17,21H,5,10-11,13H2/t17-,19+/m0/s1
InChIKey UKSDKKWVIFHGCA-PKOBYXMFSA-N
Mol Weight 330.81 g/mol
Molecular Formula C19H19ClO3
Exact Mass 330.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fkOuoLab2
Name cis-1-Hydroxymethyl-1-phenylcyclopent-2-yl 3'-chlorobenzoate
Alternate Name(s) (1S,2S)-2-(hydroxymethyl)-2-phenylcyclopentyl 3-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClO3
InChI InChI=1S/C19H19ClO3/c20-16-9-4-6-14(12-16)18(22)23-17-10-5-11-19(17,13-21)15-7-2-1-3-8-15/h1-4,6-9,12,17,21H,5,10-11,13H2/t17-,19+/m0/s1
InChIKey UKSDKKWVIFHGCA-PKOBYXMFSA-N
Molecular Weight 330.811 g/mol
SMILES OC[C@@]1([C@@](OC(c2cc(Cl)ccc2)=O)(CCC1)[H])c1ccccc1
SPLASH splash10-000f-1900000000-2aad42e496161251366e
Source of Spectrum QF-9-4308-2
Wiley ID 1558888