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cis-1-n-Butyl-1-hydroxymethylcyclopent-2-yl 4'-chlorobenzoate
SpectraBase Compound ID Kv3ikzUq3pq
InChI InChI=1S/C17H23ClO3/c1-2-3-10-17(12-19)11-4-5-15(17)21-16(20)13-6-8-14(18)9-7-13/h6-9,15,19H,2-5,10-12H2,1H3/t15-,17-/m0/s1
InChIKey XKLRBUPIHZGDGT-RDJZCZTQSA-N
Mol Weight 310.82 g/mol
Molecular Formula C17H23ClO3
Exact Mass 310.133572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AawHvLSZr6y
Name cis-1-n-Butyl-1-hydroxymethylcyclopent-2-yl 4'-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23ClO3
InChI InChI=1S/C17H23ClO3/c1-2-3-10-17(12-19)11-4-5-15(17)21-16(20)13-6-8-14(18)9-7-13/h6-9,15,19H,2-5,10-12H2,1H3/t15-,17-/m0/s1
InChIKey XKLRBUPIHZGDGT-RDJZCZTQSA-N
Molecular Weight 310.821 g/mol
SMILES OC[C@]1([C@@](OC(c2ccc(cc2)Cl)=O)(CCC1)[H])CCCC
SPLASH splash10-000l-6900000000-cec048b346884a7e0791
Source of Spectrum QF-9-4307-2
Synonyms (1S,2S)-2-butyl-2-(hydroxymethyl)cyclopentyl 4-chlorobenzoate
Wiley ID 1558787