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cis-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene
SpectraBase Compound ID 7oG9Y3R6CYO
InChI InChI=1S/C16H22S2/c1-3-13-7-14(4-1)10-18-12-16-6-2-5-15(8-16)11-17-9-13/h1,3-4,7,15-16H,2,5-6,8-12H2/t15-,16+
InChIKey XPSVAGZVPJIJRZ-IYBDPMFKSA-N
Mol Weight 278.47 g/mol
Molecular Formula C16H22S2
Exact Mass 278.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQp0rtAZngG
Name cis-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene
Alternate Name(s) (5R,9S)-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22S2
InChI InChI=1S/C16H22S2/c1-3-13-7-14(4-1)10-18-12-16-6-2-5-15(8-16)11-17-9-13/h1,3-4,7,15-16H,2,5-6,8-12H2/t15-,16+
InChIKey XPSVAGZVPJIJRZ-IYBDPMFKSA-N
Molecular Weight 278.472 g/mol
SMILES C1SC[C@@]2(C[C@](CSCc3cc1ccc3)(CCC2)[H])[H]
SPLASH splash10-0ufr-0970000000-0e6e752480b199b34a58
Source of Spectrum KC-0-1728-14
Wiley ID 828467