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2-tert-Butyl-5-phenyl-5-[2-nitro-1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-dioxolan-4-one
SpectraBase Compound ID 3FautTP7W9x
InChI InChI=1S/C22H25NO7/c1-21(2,3)20-29-19(25)22(30-20,15-8-6-5-7-9-15)16(13-23(26)27)14-10-11-17(24)18(12-14)28-4/h5-12,16,20,24H,13H2,1-4H3
InChIKey WTVGMBHKPGTFKV-UHFFFAOYSA-N
Mol Weight 415.44 g/mol
Molecular Formula C22H25NO7
Exact Mass 415.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSQyoC59ri2
Name 2-tert-Butyl-5-phenyl-5-[2-nitro-1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-dioxolan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO7
InChI InChI=1S/C22H25NO7/c1-21(2,3)20-29-19(25)22(30-20,15-8-6-5-7-9-15)16(13-23(26)27)14-10-11-17(24)18(12-14)28-4/h5-12,16,20,24H,13H2,1-4H3
InChIKey WTVGMBHKPGTFKV-UHFFFAOYSA-N
Molecular Weight 415.442 g/mol
SMILES Oc1c(cc(C(C2(OC(OC2=O)C(C)(C)C)c2ccccc2)CN(=O)=O)cc1)OC
SPLASH splash10-0pb9-0900000000-9ef0a143970168668f28
Source of Spectrum KC-60-168-3
Synonyms 2-tert-Butyl-5-[1-(4-hydroxy-3-methoxyphenyl)-2-nitroethyl]-5-phenyl-1,3-dioxolan-4-one
Wiley ID 1582863