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2-(Di-t-butylmethylene)-4-(p-nitrophenyl)-4-(1,2-propadienyl)-1,3-oxathiolan-5-one

View entire compound with spectra: 1 MS (GC)

2-(Di-t-butylmethylene)-4-(p-nitrophenyl)-4-(1,2-propadienyl)-1,3-oxathiolan-5-one
SpectraBase Compound ID DwGXarTK6ce
InChI InChI=1S/C21H25NO4S/c1-8-13-21(14-9-11-15(12-10-14)22(24)25)18(23)26-17(27-21)16(19(2,3)4)20(5,6)7/h9-13H,1H2,2-7H3
InChIKey OVHARHKZAPJFHT-UHFFFAOYSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2q4Fp4IMPlc
Name 2-(Di-t-butylmethylene)-4-(p-nitrophenyl)-4-(1,2-propadienyl)-1,3-oxathiolan-5-one
Alternate Name(s) 2-(1-tert-butyl-2,2-dimethylpropylidene)-4-(4-nitrophenyl)-4-(1,2-propadienyl)-1,3-oxathiolan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO4S
InChI InChI=1S/C21H25NO4S/c1-8-13-21(14-9-11-15(12-10-14)22(24)25)18(23)26-17(27-21)16(19(2,3)4)20(5,6)7/h9-13H,1H2,2-7H3
InChIKey OVHARHKZAPJFHT-UHFFFAOYSA-N
Molecular Weight 387.494 g/mol
SMILES C1(SC(C=C=C)(c2ccc(N(=O)=O)cc2)C(O1)=O)=C(C(C)(C)C)C(C)(C)C
SPLASH splash10-0f79-0941000000-bbed2aa2b954014f3e83
Source of Spectrum AJ-68-1398-10
Wiley ID 773313