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[2.2]Paracyclophane-4-thiol

View entire compound with spectra: 1 MS (GC)

[2.2]Paracyclophane-4-thiol
SpectraBase Compound ID KBWdVjaMTcE
InChI InChI=1S/C16H16S/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,17H,5-7,9H2
InChIKey FUZQZBWKRKESQF-UHFFFAOYSA-N
Mol Weight 240.36 g/mol
Molecular Formula C16H16S
Exact Mass 240.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99jbBdMHQRF
Name [2.2]Paracyclophane-4-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16S
InChI InChI=1S/C16H16S/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,17H,5-7,9H2
InChIKey FUZQZBWKRKESQF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800161m
Molecular Weight 240.364 g/mol
SMILES Sc1c2ccc(c1)CCc1ccc(cc1)CC2
SPLASH splash10-0006-3690000000-c9baf794986008f3d868
Source of Spectrum A1-10-1271/SMS5-2
Wiley ID 1759282