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2-sec-Butylphenyl(phenylsulfonyl)acetanitrile
SpectraBase Compound ID AV5u8MTZbJ0
InChI InChI=1S/C18H19NO2S/c1-3-14(2)16-11-7-8-12-17(16)18(13-19)22(20,21)15-9-5-4-6-10-15/h4-12,14,18H,3H2,1-2H3
InChIKey ZAPWYFMBOPKRHQ-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C18H19NO2S
Exact Mass 313.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tsdZ3qcpWU
Name 2-sec-Butylphenyl(phenylsulfonyl)acetanitrile
Alternate Name(s) (2-sec-butylphenyl)(phenylsulfonyl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO2S
InChI InChI=1S/C18H19NO2S/c1-3-14(2)16-11-7-8-12-17(16)18(13-19)22(20,21)15-9-5-4-6-10-15/h4-12,14,18H,3H2,1-2H3
InChIKey ZAPWYFMBOPKRHQ-UHFFFAOYSA-N
Molecular Weight 313.415 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(c1c(C(CC)C)cccc1)C#N
SPLASH splash10-0100-3900000000-d9c8a40eb1adc637ad78
Source of Spectrum KC-0-1477-65
Wiley ID 788193