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(S)-4-(Methylsulfinylmethyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

(S)-4-(Methylsulfinylmethyl)benzonitrile
SpectraBase Compound ID 8Zcmopjw0fS
InChI InChI=1S/C9H9NOS/c1-12(11)7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3
InChIKey UEGGGMSZDXLERB-UHFFFAOYSA-N
Mol Weight 179.24 g/mol
Molecular Formula C9H9NOS
Exact Mass 179.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQbQTW6UIfH
Name (S)-4-(Methylsulfinylmethyl)benzonitrile
Alternate Name(s) 4-[(Methylsulfinyl)methyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NOS
InChI InChI=1S/C9H9NOS/c1-12(11)7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3
InChIKey UEGGGMSZDXLERB-UHFFFAOYSA-N
Molecular Weight 179.237 g/mol
SMILES C(#N)c1ccc(C[S@@](=O)C)cc1
SPLASH splash10-014i-1900000000-fd702533e7b01e6a7b5e
Source of Spectrum QC-6-1566-10
Wiley ID 868875