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(1,3-Oxathiolan-2-ylidene)(phenylsulfinyl)acetonitrile
SpectraBase Compound ID 4lCoHITzi02
InChI InChI=1S/C11H9NO2S2/c12-8-10(11-14-6-7-15-11)16(13)9-4-2-1-3-5-9/h1-5H,6-7H2/b11-10-
InChIKey DKCGTDPVTPZQEK-KHPPLWFESA-N
Mol Weight 251.32 g/mol
Molecular Formula C11H9NO2S2
Exact Mass 251.007471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44wLVfLrRPz
Name (1,3-Oxathiolan-2-ylidene)(phenylsulfinyl)acetonitrile
Alternate Name(s) (2Z)-1,3-oxathiolan-2-ylidene(phenylsulfinyl)ethanenitrile
CAS Registry Number 139427-41-1
Comments Less than 3 mono-isotopic peaks
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Formula C11H9NO2S2
InChI InChI=1S/C11H9NO2S2/c12-8-10(11-14-6-7-15-11)16(13)9-4-2-1-3-5-9/h1-5H,6-7H2/b11-10-
InChIKey DKCGTDPVTPZQEK-KHPPLWFESA-N
Molecular Weight 251.318 g/mol
SMILES c1(S(\C(=C/2SCCO2)C#N)=O)ccccc1
SPLASH splash10-000i-0090000000-a023007db0721b5e8acc
Source of Spectrum U-1992-398-6
Wiley ID 764185