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1-Tert-Butyl-4-{2-[(4-chlorophenyl)thio]ethyl}benzene
SpectraBase Compound ID 19j41edUWuW
InChI InChI=1S/C18H21ClS/c1-18(2,3)15-6-4-14(5-7-15)12-13-20-17-10-8-16(19)9-11-17/h4-11H,12-13H2,1-3H3
InChIKey ZFHJYSTTWRYELK-UHFFFAOYSA-N
Mol Weight 304.88 g/mol
Molecular Formula C18H21ClS
Exact Mass 304.10525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RCatFYjSgX
Name 1-Tert-Butyl-4-{2-[(4-chlorophenyl)thio]ethyl}benzene
Alternate Name(s) (4-(tert-butyl)phenethyl)(4-chlorophenyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClS
InChI InChI=1S/C18H21ClS/c1-18(2,3)15-6-4-14(5-7-15)12-13-20-17-10-8-16(19)9-11-17/h4-11H,12-13H2,1-3H3
InChIKey ZFHJYSTTWRYELK-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c1ra00401h
Molecular Weight 304.879 g/mol
SMILES c1cc(CCSc2ccc(cc2)Cl)ccc1C(C)(C)C
SPLASH splash10-0a4j-7903000000-b843c2cfccb408c96397
Source of Spectrum RSA-1-1110-Table3,entry6
Wiley ID 1747780