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2-Azetidinone, 1-[[3,3-bis(1,1-dimethylethyl)-3,4-dihydro-4-oxo-2-azetyl]thio]-3,3-bis(1,1-dimethylethyl)-4-thioxo-
SpectraBase Compound ID 1Pic6Tot6N
InChI InChI=1S/C22H36N2O2S2/c1-17(2,3)21(18(4,5)6)13(25)23-14(21)28-24-15(26)22(16(24)27,19(7,8)9)20(10,11)12/h1-12H3
InChIKey PFSRQTUAFZIURD-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C22H36N2O2S2
Exact Mass 424.221821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxpWPya5lmH
Name 2-Azetidinone, 1-[[3,3-bis(1,1-dimethylethyl)-3,4-dihydro-4-oxo-2-azetyl]thio]-3,3-bis(1,1-dimethylethyl)-4-thioxo-
CAS Registry Number 112222-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36N2O2S2
InChI InChI=1S/C22H36N2O2S2/c1-17(2,3)21(18(4,5)6)13(25)23-14(21)28-24-15(26)22(16(24)27,19(7,8)9)20(10,11)12/h1-12H3
InChIKey PFSRQTUAFZIURD-UHFFFAOYSA-N
Molecular Weight 424.662 g/mol
SMILES C1(N(C(C1(C(C)(C)C)C(C)(C)C)=O)SC=1C(C(C)(C)C)(C(C)(C)C)C(N1)=O)=S
SPLASH splash10-03xr-0069000000-1efa78c7376d8358f54d
Source of Spectrum K-121-697-23
Synonyms Azete, 2-azetidinone deriv. 3,3-Ditert-butyl-4-[(3,3-ditert-butyl-2-oxo-4-thioxo-1-azetidinyl)sulfanyl]-2(3H)-azetone
Wiley ID 1379240