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2-tert-Butyl-5-phenyl-5-[2-nitro-1-(4-bromophenyl)ethyl]-1,3-dioxolan-4-one
SpectraBase Compound ID 3WitcNXoU9a
InChI InChI=1S/C21H22BrNO5/c1-20(2,3)19-27-18(24)21(28-19,15-7-5-4-6-8-15)17(13-23(25)26)14-9-11-16(22)12-10-14/h4-12,17,19H,13H2,1-3H3
InChIKey JGAUZPDEVWVXMK-UHFFFAOYSA-N
Mol Weight 448.31 g/mol
Molecular Formula C21H22BrNO5
Exact Mass 447.068136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46Hsju3ob8b
Name 2-tert-Butyl-5-phenyl-5-[2-nitro-1-(4-bromophenyl)ethyl]-1,3-dioxolan-4-one
Alternate Name(s) 5-[1-(4-bromophenyl)-2-nitroethyl]-2-tert-butyl-5-phenyl-1,3-dioxolan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO5
InChI InChI=1S/C21H22BrNO5/c1-20(2,3)19-27-18(24)21(28-19,15-7-5-4-6-8-15)17(13-23(25)26)14-9-11-16(22)12-10-14/h4-12,17,19H,13H2,1-3H3
InChIKey JGAUZPDEVWVXMK-UHFFFAOYSA-N
Molecular Weight 448.313 g/mol
SMILES C1(OC(C(O1)=O)(C(CN(=O)=O)c1ccc(cc1)Br)c1ccccc1)C(C)(C)C
SPLASH splash10-03xr-0029000000-41f684e37ddb757e7b5f
Source of Spectrum KC-60-168-3
Wiley ID 1582862