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(5R,6R)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile

View entire compound with spectra: 1 MS (GC)

(5R,6R)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile
SpectraBase Compound ID 5qmqr43UbfE
InChI InChI=1S/C12H12N2S/c1-7-11-3-9(5-13)10(6-14)4-12(11)8(2)15-7/h9-10H,3-4H2,1-2H3/t9-,10-/m0/s1
InChIKey VTPUTXCKCOHKLU-UWVGGRQHSA-N
Mol Weight 216.3 g/mol
Molecular Formula C12H12N2S
Exact Mass 216.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRJTWDSONU
Name (5R,6R)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile
Alternate Name(s) (5R,6R)-1,3-dimethyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2S
InChI InChI=1S/C12H12N2S/c1-7-11-3-9(5-13)10(6-14)4-12(11)8(2)15-7/h9-10H,3-4H2,1-2H3/t9-,10-/m0/s1
InChIKey VTPUTXCKCOHKLU-UWVGGRQHSA-N
Molecular Weight 216.302 g/mol
SMILES c12c(c(C)sc2C)C[C@]([C@@](C1)(C#N)[H])(C#N)[H]
SPLASH splash10-000i-0920000000-0b2ea41f84e91f1df33e
Source of Spectrum F-67-9274-10
Wiley ID 1571434