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N-[(R)-4-Benzoyl-5-hydroxy[2.2]paracyclophane]-(1R,2R)-(+)-1,2-diaminocyclohexane

View entire compound with spectra: 2 MS (GC)

N-[(R)-4-Benzoyl-5-hydroxy[2.2]paracyclophane]-(1R,2R)-(+)-1,2-diaminocyclohexane
SpectraBase Compound ID CmwLiafMxqF
InChI InChI=1S/C29H32N2O/c30-25-11-4-5-12-26(25)31-28(23-9-2-1-3-10-23)27-22-15-13-20-7-6-8-21(19-20)14-16-24(18-17-22)29(27)32/h1-3,6-10,17-19,25-26,32H,4-5,11-16,30H2/b31-28+/t25-,26-/m1/s1
InChIKey XSQFUQCXBCUFBF-ZJQSGUGYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C29H32N2O
Exact Mass 424.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkQ6ifWOQve
Name N-[(R)-4-Benzoyl-5-hydroxy[2.2]paracyclophane]-(1R,2R)-(+)-1,2-diaminocyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32N2O
InChI InChI=1S/C29H32N2O/c30-25-11-4-5-12-26(25)31-28(23-9-2-1-3-10-23)27-22-15-13-20-7-6-8-21(19-20)14-16-24(18-17-22)29(27)32/h1-3,6-10,17-19,25-26,32H,4-5,11-16,30H2/b31-28+/t25-,26-/m1/s1
InChIKey XSQFUQCXBCUFBF-ZJQSGUGYSA-N
Molecular Weight 424.588 g/mol
SMILES Oc1c(\C(=N\[C@]2([C@@](CCCC2)(N)[H])[H])c2ccccc2)c2CCc3cccc(CCc1cc2)c3
SPLASH splash10-0uk9-0908300000-7f921238c501be632d21
Source of Spectrum KD-15-227-16
Synonyms N-[4(S)-Benzoyl-5-hydroxy[2.2]paracyclophane]-(1R,2R)-(+)-1,2-diaminocyclohexane
Wiley ID 1636731