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2-tert-Butyl-5-phenyl-5-[2-nitro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-one

View entire compound with spectra: 1 MS (GC)

2-tert-Butyl-5-phenyl-5-[2-nitro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-one
SpectraBase Compound ID 4T9OklVHhlg
InChI InChI=1S/C22H25NO6/c1-21(2,3)20-28-19(24)22(29-20,16-8-6-5-7-9-16)18(14-23(25)26)15-10-12-17(27-4)13-11-15/h5-13,18,20H,14H2,1-4H3
InChIKey FHJOBWGBQQMMAA-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXNHL1aHock
Name 2-tert-Butyl-5-phenyl-5-[2-nitro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-21(2,3)20-28-19(24)22(29-20,16-8-6-5-7-9-16)18(14-23(25)26)15-10-12-17(27-4)13-11-15/h5-13,18,20H,14H2,1-4H3
InChIKey FHJOBWGBQQMMAA-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES C1(C(OC(O1)C(C)(C)C)=O)(C(CN(=O)=O)c1ccc(cc1)OC)c1ccccc1
SPLASH splash10-0a59-0900000000-95da0724d2d733294837
Source of Spectrum KC-60-168-3
Synonyms 2-tert-Butyl-5-[1-(4-methoxyphenyl)-2-nitroethyl]-5-phenyl-1,3-dioxolan-4-one
Wiley ID 1582866