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1-Pyrrolidinyloxy, 3-cyano-2,2,5,5-tetramethyl-4-(3-nitrobenzoyl)-, trans-
SpectraBase Compound ID 7qsvkgukRvS
InChI InChI=1S/C16H18N3O4/c1-15(2)12(9-17)13(16(3,4)19(15)23)14(20)10-6-5-7-11(8-10)18(21)22/h5-8,12-13H,1-4H3/t12-,13+/m1/s1
InChIKey VLDXPXWXZCJLQO-OLZOCXBDSA-N
Mol Weight 317.35 g/mol
Molecular Formula C16H19N3O4
Exact Mass 317.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvkkyCN1WMA
Name 1-Pyrrolidinyloxy, 3-cyano-2,2,5,5-tetramethyl-4-(3-nitrobenzoyl)-, trans-
CAS Registry Number 127898-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N3O4
InChI InChI=1S/C16H18N3O4/c1-15(2)12(9-17)13(16(3,4)19(15)23)14(20)10-6-5-7-11(8-10)18(21)22/h5-8,12-13H,1-4H3/t12-,13+/m1/s1
InChIKey VLDXPXWXZCJLQO-OLZOCXBDSA-N
Molecular Weight 317.345 g/mol
SMILES ON1C([C@@]([C@](C1(C)C)(C#N)[H])(C(c1cc(N(=O)=O)ccc1)=O)[H])(C)C
SPLASH splash10-067i-4069000000-beecafaf122608b53382
Source of Spectrum O-25-70-61
Synonyms 3-[(m-nitrophenyl)carbonyl]-4-cyano-2,2',5,5'-tetramethylpyrrolidine-N-oxyl
Wiley ID 1316598