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4-Isoxazolidinecarbonitrile, 4-[(1,1-dimethylethyl)thio]-2,3-diphenyl-, trans-
SpectraBase Compound ID 4eLrQRhItRJ
InChI InChI=1S/C20H22N2OS/c1-19(2,3)24-20(14-21)15-23-22(17-12-8-5-9-13-17)18(20)16-10-6-4-7-11-16/h4-13,18H,15H2,1-3H3/t18-,20-/m1/s1
InChIKey NGWHNPPGTCESGG-UYAOXDASSA-N
Mol Weight 338.47 g/mol
Molecular Formula C20H22N2OS
Exact Mass 338.145285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuuJ1LxN1U4
Name 4-Isoxazolidinecarbonitrile, 4-[(1,1-dimethylethyl)thio]-2,3-diphenyl-, trans-
Alternate Name(s) (3R,4R)-4-(tert-butylsulfanyl)-2,3-diphenyl-4-isoxazolidinecarbonitrile 4-tert-Butylthio-2,t-3-diphenyl-r-4-isoxazolidincarbonitrile
CAS Registry Number 81287-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2OS
InChI InChI=1S/C20H22N2OS/c1-19(2,3)24-20(14-21)15-23-22(17-12-8-5-9-13-17)18(20)16-10-6-4-7-11-16/h4-13,18H,15H2,1-3H3/t18-,20-/m1/s1
InChIKey NGWHNPPGTCESGG-UYAOXDASSA-N
Molecular Weight 338.469 g/mol
SMILES [C@]1([C@](N(c2ccccc2)OC1)(c1ccccc1)[H])(SC(C)(C)C)C#N
SPLASH splash10-000y-7900000000-00ef5e63d28fc0a28e90
Source of Spectrum K-115-799-0
Wiley ID 1333864