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trans-2,5-Dimethyl-5-nonyl-2-(6'-iodohexyl)tetrahydropyrrole-1-oxyl
SpectraBase Compound ID Hsd7dvI5XqQ
InChI InChI=1S/C21H41INO/c1-4-5-6-7-8-9-12-15-20(2)17-18-21(3,23(20)24)16-13-10-11-14-19-22/h4-19H2,1-3H3/t20-,21-/m0/s1
InChIKey ZDSXHINZYULUCA-SFTDATJTSA-N
Mol Weight 451.5 g/mol
Molecular Formula C21H42INO
Exact Mass 451.23111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1N2GnsSEQN
Name trans-2,5-Dimethyl-5-nonyl-2-(6'-iodohexyl)tetrahydropyrrole-1-oxyl
CAS Registry Number 67408-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H41INO
InChI InChI=1S/C21H41INO/c1-4-5-6-7-8-9-12-15-20(2)17-18-21(3,23(20)24)16-13-10-11-14-19-22/h4-19H2,1-3H3/t20-,21-/m0/s1
InChIKey ZDSXHINZYULUCA-SFTDATJTSA-N
Molecular Weight 451.477 g/mol
SMILES ON1[C@](CC[C@@]1(CCCCCCCCC)C)(CCCCCCI)C
SPLASH splash10-0596-9043000000-57aef5e4c102b0773e1f
Source of Spectrum J-43-4230-0
Wiley ID 1387612