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cis-1-Hydroxymethyl-1-phenylcyclopent-2-yl 4'-chlorobenzoate
SpectraBase Compound ID KREm0bt05dC
InChI InChI=1S/C19H19ClO3/c20-16-10-8-14(9-11-16)18(22)23-17-7-4-12-19(17,13-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,21H,4,7,12-13H2/t17-,19+/m0/s1
InChIKey VJUHXAPNNNQYHE-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 8IIbg1Loc9q
Name cis-1-Hydroxymethyl-1-phenylcyclopent-2-yl 4'-chlorobenzoate
Alternate Name(s) (1S,2S)-2-(hydroxymethyl)-2-phenylcyclopentyl 4-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClO3
InChI InChI=1S/C19H19ClO3/c20-16-10-8-14(9-11-16)18(22)23-17-7-4-12-19(17,13-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,21H,4,7,12-13H2/t17-,19+/m0/s1
InChIKey VJUHXAPNNNQYHE-PKOBYXMFSA-N
Molecular Weight 330.811 g/mol
SMILES OC[C@@]1([C@@](OC(c2ccc(cc2)Cl)=O)(CCC1)[H])c1ccccc1
SPLASH splash10-000f-0900000000-793ca503f3cbed58d951
Source of Spectrum QF-9-4306-2
Wiley ID 1558793