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5-Thioxo-4,6-dithiatetracyclo[7.3.1(2,8)..0(3,7)]tridec-10-ene
SpectraBase Compound ID 3gF0LYR7EVX
InChI InChI=1S/C11H12S3/c12-11-13-9-7-4-8(10(9)14-11)6-3-1-2-5(6)7/h1-2,5-10H,3-4H2/t5-,6+,7+,8-,9+,10+/m1/s1
InChIKey NVFONTLKTKJEKI-NESWFBESSA-N
Mol Weight 240.4 g/mol
Molecular Formula C11H12S3
Exact Mass 240.010114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LQRpvctZ84
Name 5-Thioxo-4,6-dithiatetracyclo[7.3.1(2,8)..0(3,7)]tridec-10-ene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12S3
InChI InChI=1S/C11H12S3/c12-11-13-9-7-4-8(10(9)14-11)6-3-1-2-5(6)7/h1-2,5-10H,3-4H2/t5-,6+,7+,8-,9+,10+/m1/s1
InChIKey NVFONTLKTKJEKI-NESWFBESSA-N
Molecular Weight 240.397 g/mol
SMILES [C@@]12([C@]([C@]3(C[C@@]2([C@@]2([C@]3(C=CC2)[H])[H])[H])[H])(SC(S1)=S)[H])[H]
SPLASH splash10-0005-9070000000-ebe6164fecc22889e997
Source of Spectrum K-130-763-27
Wiley ID 1242532