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trans-2-{3-Allyl-5-methyl-2-[(E)-pyrrolidin-1-yldiazenyl]phenyl} cyclohexanol
SpectraBase Compound ID NlHGeToBR4
InChI InChI=1S/C20H29N3O/c1-3-8-16-13-15(2)14-18(17-9-4-5-10-19(17)24)20(16)21-22-23-11-6-7-12-23/h3,13-14,17,19,24H,1,4-12H2,2H3/b22-21+/t17-,19+/m0/s1
InChIKey LXESKERPUBSBGT-VAIHUBBGSA-N
Mol Weight 327.47 g/mol
Molecular Formula C20H29N3O
Exact Mass 327.231063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNmtfcq00Vv
Name trans-2-{3-Allyl-5-methyl-2-[(E)-pyrrolidin-1-yldiazenyl]phenyl} cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O
InChI InChI=1S/C20H29N3O/c1-3-8-16-13-15(2)14-18(17-9-4-5-10-19(17)24)20(16)21-22-23-11-6-7-12-23/h3,13-14,17,19,24H,1,4-12H2,2H3/b22-21+/t17-,19+/m0/s1
InChIKey LXESKERPUBSBGT-VAIHUBBGSA-N
Molecular Weight 327.472 g/mol
SMILES O[C@]1([C@](c2c(\N=N\N3CCCC3)c(CC=C)cc(c2)C)(CCCC1)[H])[H]
SPLASH splash10-03dl-0930000000-adff6f3c0e930985154f
Source of Spectrum U1-2012-6241-2m
Synonyms (1R,2S)-2-(3-allyl-5-methyl-2-((E)-pyrrolidin-1-yldiazenyl)phenyl)cyclohexanol
Wiley ID 1735687