Pentacyclo[5.4.0.0(2,6).0(3,10).0(5,8)]undecane-8-thione

SpectraBase Compound ID	J4QCEsI7BG
InChI	InChI=1S/C11H12S/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2/t3-,4-,5+,6+,7?,8-,9?,10+/m1/s1
InChIKey	JVHFNWCOEVBDFN-NQWQGCDQSA-N Google Search
Mol Weight	176.28 g/mol
Molecular Formula	C11H12S
Exact Mass	176.065972 g/mol

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SpectraBase Spectrum ID	1C5rXFJDcBr
Name	Pentacyclo[5.4.0.0(2,6).0(3,10).0(5,8)]undecane-8-thione
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11H12S
InChI	InChI=1S/C11H12S/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2/t3-,4-,5+,6+,7?,8-,9?,10+/m1/s1
InChIKey	JVHFNWCOEVBDFN-NQWQGCDQSA-N
Molecular Weight	176.277 g/mol
SMILES	C1([C@]2([C@@]3(C[C@@]4([C@]2(C[C@]2(C4C3[C@@]12[H])[H])[H])[H])[H])[H])=S
SPLASH	splash10-004i-0900000000-4675465c049ad21d8e2e
Source of Spectrum	C5-2002-1357-7
Synonyms	Pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8-thione
Wiley ID	1614771