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bis(1,2,3,4,5-Pentamethyl1,3-cyclopentadien-5-yl) thioketone
SpectraBase Compound ID 2ftSMHqlPis
InChI InChI=1S/C21H30S/c1-11-12(2)16(6)20(9,15(11)5)19(22)21(10)17(7)13(3)14(4)18(21)8/h1-10H3
InChIKey WZISXDQRBIWCOH-UHFFFAOYSA-N
Mol Weight 314.53 g/mol
Molecular Formula C21H30S
Exact Mass 314.206822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F43C4FguLEx
Name bis(1,2,3,4,5-Pentamethyl1,3-cyclopentadien-5-yl) thioketone
CAS Registry Number 143171-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30S
InChI InChI=1S/C21H30S/c1-11-12(2)16(6)20(9,15(11)5)19(22)21(10)17(7)13(3)14(4)18(21)8/h1-10H3
InChIKey WZISXDQRBIWCOH-UHFFFAOYSA-N
Molecular Weight 314.531 g/mol
SMILES C1(C(=C(C)C(=C1C)C)C)(C(C1(C(=C(C)C(=C1C)C)C)C)=S)C
SPLASH splash10-004i-0902000000-a091316a6f29999537cc
Source of Spectrum K-126-420-6
Synonyms bis(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)methanethione
Wiley ID 1315627