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2-methoxy-2-methyl-1-(phenylsulfanyl)cyclopropanecarbonitrile
SpectraBase Compound ID DZX6IsnjC61
InChI InChI=1S/C12H13NOS/c1-11(14-2)8-12(11,9-13)15-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey QXEBRJMNBNLLKG-UHFFFAOYSA-N
Mol Weight 219.3 g/mol
Molecular Formula C12H13NOS
Exact Mass 219.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oM34O7Bn3t
Name 2-methoxy-2-methyl-1-(phenylsulfanyl)cyclopropanecarbonitrile
Alternate Name(s) cis-2-Methoxy-1-phenylthiocyclopropanecarbonitrile cis-2-Methoxy-2-methyl-1-phenylthiocyclopropanecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NOS
InChI InChI=1S/C12H13NOS/c1-11(14-2)8-12(11,9-13)15-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey QXEBRJMNBNLLKG-UHFFFAOYSA-N
Molecular Weight 219.302 g/mol
SMILES C1(C(OC)(C)C1)(C#N)Sc1ccccc1
SPLASH splash10-0006-9020000000-79569f545e8654b0b376
Source of Spectrum QA-41-807-4
Wiley ID 861898