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1-Pyrrolidinyloxy, 2,5-bis(4-hydroxy-3,5-dinitrophenyl)-2,5-dimethyl-, trans-
SpectraBase Compound ID ItE1mE7EKsG
InChI InChI=1S/C18H16N5O11/c1-17(9-5-11(19(26)27)15(24)12(6-9)20(28)29)3-4-18(2,23(17)34)10-7-13(21(30)31)16(25)14(8-10)22(32)33/h5-8,24-25H,3-4H2,1-2H3/t17-,18-/m1/s1
InChIKey TWRNYHBFKVQNMO-QZTJIDSGSA-N
Mol Weight 479.36 g/mol
Molecular Formula C18H17N5O11
Exact Mass 479.092456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28QutYbz1Xf
Name 1-Pyrrolidinyloxy, 2,5-bis(4-hydroxy-3,5-dinitrophenyl)-2,5-dimethyl-, trans-
CAS Registry Number 124190-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N5O11
InChI InChI=1S/C18H16N5O11/c1-17(9-5-11(19(26)27)15(24)12(6-9)20(28)29)3-4-18(2,23(17)34)10-7-13(21(30)31)16(25)14(8-10)22(32)33/h5-8,24-25H,3-4H2,1-2H3/t17-,18-/m1/s1
InChIKey TWRNYHBFKVQNMO-QZTJIDSGSA-N
Molecular Weight 479.358 g/mol
SMILES Oc1c(cc([C@]2(CC[C@@](N2O)(c2cc(c(c(N(=O)=O)c2)O)N(=O)=O)C)C)cc1N(=O)=O)N(=O)=O
SPLASH splash10-006t-0280900000-a012ecf57f7839813b8d
Source of Spectrum I-67-1396-27
Synonyms 2,7-Dimethyl-trans-2,5-di(3,5-dinitro-4-hydroxyphenyl)pyrrolidin-1-oxyl
Wiley ID 1394633