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3-Tert-butyl-2-(4-methoxyphenyl)-1-methyl-4-sulfanylidene-3-azetidinecarbonitrile
SpectraBase Compound ID 3wnB7t9rZ9v
InChI InChI=1S/C16H20N2OS/c1-15(2,3)16(10-17)13(18(4)14(16)20)11-6-8-12(19-5)9-7-11/h6-9,13H,1-5H3
InChIKey PHHJPJUJUXECNU-UHFFFAOYSA-N
Mol Weight 288.41 g/mol
Molecular Formula C16H20N2OS
Exact Mass 288.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sl8mgei4Y7
Name 3-tert-Butyl-2-(4-methoxyphenyl)-1-methyl-4-sulfanylidene-3-azetidinecarbonitrile
CAS Registry Number 84065-86-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2OS
InChI InChI=1S/C16H20N2OS/c1-15(2,3)16(10-17)13(18(4)14(16)20)11-6-8-12(19-5)9-7-11/h6-9,13H,1-5H3
InChIKey PHHJPJUJUXECNU-UHFFFAOYSA-N
Molecular Weight 288.409 g/mol
SMILES C1(C(=S)N(C1c1ccc(cc1)OC)C)(C#N)C(C)(C)C
SPLASH splash10-0fki-0590000000-d239cdd762d09d541f4a
Source of Spectrum K-121-1170-24
Synonyms 3-tert-Butyl-2-(4-methoxyphenyl)-1-methyl-4-sulfanylidene-azetidine-3-carbonitrile 3-tert-Butyl-2-(4-methoxyphenyl)-1-methyl-4-thioxo-azetidine-3-carbonitrile
Wiley ID 1291713