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1,2,3,4,5-Pentamethylcyclopenta-2,4-dienecarbodithioic acid 1,2,2-triphenylethenyl ester
SpectraBase Compound ID DCH6uAQo0eg
InChI InChI=1S/C31H30S2/c1-21-22(2)24(4)31(5,23(21)3)30(32)33-29(27-19-13-8-14-20-27)28(25-15-9-6-10-16-25)26-17-11-7-12-18-26/h6-20H,1-5H3
InChIKey SBLVZONUTWYFDY-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C31H30S2
Exact Mass 466.178893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERsi25gbEvW
Name 1,2,3,4,5-Pentamethylcyclopenta-2,4-dienecarbodithioic acid 1,2,2-triphenylethenyl ester
Appearance Orange crystals
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Formula C31H30S2
InChI InChI=1S/C31H30S2/c1-21-22(2)24(4)31(5,23(21)3)30(32)33-29(27-19-13-8-14-20-27)28(25-15-9-6-10-16-25)26-17-11-7-12-18-26/h6-20H,1-5H3
InChIKey SBLVZONUTWYFDY-UHFFFAOYSA-N
Instrument Name Finnigan MAT GCQ PLUS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.d02
Molecular Weight 466.701 g/mol
Quality 40
SMILES C1(=CC=CC=C1)C(=C(C1=CC=CC=C1)C1=CC=CC=C1)SC(=S)C1(C(=C(C(=C1C)C)C)C)C
SPLASH splash10-0ap0-0970700000-73377debcc1a50a56249
Source of Spectrum ARK-2003-10-5d (DOI: 10.3998/ark.5550190.0004.d02)
Wiley ID 1899764