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1',7',7'-Trimethylspiro[4H-2,2'-bicyclo[2.2.1]heptane]-1,3-benzodithiin
SpectraBase Compound ID EdC8c4PaoS2
InChI InChI=1S/C17H22S2/c1-15(2)14-8-9-16(15,3)11-17(14)18-10-12-6-4-5-7-13(12)19-17/h4-7,14H,8-11H2,1-3H3/t14-,16-,17-/m0/s1
InChIKey KKBMBERLZSQHAY-XIRDDKMYSA-N
Mol Weight 290.48 g/mol
Molecular Formula C17H22S2
Exact Mass 290.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ps1w2YgmG9
Name 1',7',7'-Trimethylspiro[4H-2,2'-bicyclo[2.2.1]heptane]-1,3-benzodithiin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22S2
InChI InChI=1S/C17H22S2/c1-15(2)14-8-9-16(15,3)11-17(14)18-10-12-6-4-5-7-13(12)19-17/h4-7,14H,8-11H2,1-3H3/t14-,16-,17-/m0/s1
InChIKey KKBMBERLZSQHAY-XIRDDKMYSA-N
Molecular Weight 290.483 g/mol
SMILES [C@]12(Sc3ccccc3CS2)[C@@]2(C(C)(C)[C@](C1)(CC2)C)[H]
SPLASH splash10-0006-9140000000-b77af9fad90fda4951f2
Source of Spectrum U-1997-1604-11
Wiley ID 770119