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Methyl 2-(m-chlorophenyl)-2-(phenylthio)pent-4-ynoate
SpectraBase Compound ID 3eGFu7h0G9z
InChI InChI=1S/C18H15ClO2S/c1-3-12-18(17(20)21-2,14-8-7-9-15(19)13-14)22-16-10-5-4-6-11-16/h1,4-11,13H,12H2,2H3
InChIKey JDTYWBSQSOLEIL-UHFFFAOYSA-N
Mol Weight 330.83 g/mol
Molecular Formula C18H15ClO2S
Exact Mass 330.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2x35q8hGiFM
Name Methyl 2-(m-chlorophenyl)-2-(phenylthio)pent-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClO2S
InChI InChI=1S/C18H15ClO2S/c1-3-12-18(17(20)21-2,14-8-7-9-15(19)13-14)22-16-10-5-4-6-11-16/h1,4-11,13H,12H2,2H3
InChIKey JDTYWBSQSOLEIL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030210732
Molecular Weight 330.829 g/mol
SMILES c1(cc(ccc1)Cl)C(Sc1ccccc1)(CC#C)C(=O)OC
SPLASH splash10-03di-0921000000-a8f7d8e7917cbf9867a1
Source of Spectrum CJC-21-882-7d
Synonyms Methyl 2-(3-chlorophenyl)-2-(phenylthio)pent-4-ynoate
Wiley ID 1773780