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2-chloro-5-(cyclododecyl(phenyl)methyl)thiophene
SpectraBase Compound ID HiF0ZWWZ1K3
InChI InChI=1S/C23H31ClS/c24-22-18-17-21(25-22)23(20-15-11-8-12-16-20)19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-19,23H,1-7,9-10,13-14H2
InChIKey SBXUINFKSNQKRL-UHFFFAOYSA-N
Mol Weight 375.01 g/mol
Molecular Formula C23H31ClS
Exact Mass 374.1835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uTa8C4WfDM
Name 2-chloro-5-(cyclododecyl(phenyl)methyl)thiophene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31ClS
InChI InChI=1S/C23H31ClS/c24-22-18-17-21(25-22)23(20-15-11-8-12-16-20)19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-19,23H,1-7,9-10,13-14H2
InChIKey SBXUINFKSNQKRL-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202016268
Molecular Weight 375.014 g/mol
SMILES C1C(CCCCCCCCCC1)C(c1ccccc1)c1sc(cc1)Cl
SPLASH splash10-0a4i-3490000000-7759dba2d1c55769cedc
Source of Spectrum ACI-60-SM27-4e
Wiley ID 1880270