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spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclopentane]
SpectraBase Compound ID 3P0IIG8TDSG
InChI InChI=1S/C13H12S2/c1-2-6-13(5-1)9-3-7-14-11(9)12-10(13)4-8-15-12/h3-4,7-8H,1-2,5-6H2
InChIKey AJCCUBBXJGFODU-UHFFFAOYSA-N
Mol Weight 232.36 g/mol
Molecular Formula C13H12S2
Exact Mass 232.038043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69X6RhzohWU
Name spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclopentane]
Appearance Pale-yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.038042734 u
Formula C13H12S2
InChI InChI=1S/C13H12S2/c1-2-6-13(5-1)9-3-7-14-11(9)12-10(13)4-8-15-12/h3-4,7-8H,1-2,5-6H2
InChIKey AJCCUBBXJGFODU-UHFFFAOYSA-N
Instrument Name Agilent 7890B-7000D
Ionization Type EI
Literature Reference DOI 10.1002/anie.202307856
Molecular Weight 232.359 g/mol
Quality 362
SMILES C12=C(C3(C4=C2SC=C4)CCCC3)C=CS1
SPLASH splash10-001i-0490000000-c3adf22fbafe2294e5cf
Source of Spectrum ACI-62-SM18-7 (DOI: 10.1002/anie.202307856)
Wiley ID 1911217