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6-(4-{3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-benzoyl)-piperazin-1-yl)-hexanoic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

6-(4-{3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-benzoyl)-piperazin-1-yl)-hexanoic acid ethyl ester
SpectraBase Compound ID 1MDN4AhtlRz
InChI InChI=1S/C35H50N4O4/c1-5-17-38-25-28(4)39(26-27(38)3)34(30-13-11-15-32(40)24-30)29-12-10-14-31(23-29)35(42)37-21-19-36(20-22-37)18-9-7-8-16-33(41)43-6-2/h5,10-15,23-24,27-28,34,40H,1,6-9,16-22,25-26H2,2-4H3/t27-,28+,34-/m1/s1
InChIKey FIQKFNFTNLHBLT-NKGGCWJSSA-N
Mol Weight 590.8 g/mol
Molecular Formula C35H50N4O4
Exact Mass 590.383206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LJE4mWh81i
Name 6-(4-{3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-benzoyl)-piperazin-1-yl)-hexanoic acid ethyl ester
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H50N4O4
InChI InChI=1S/C35H50N4O4/c1-5-17-38-25-28(4)39(26-27(38)3)34(30-13-11-15-32(40)24-30)29-12-10-14-31(23-29)35(42)37-21-19-36(20-22-37)18-9-7-8-16-33(41)43-6-2/h5,10-15,23-24,27-28,34,40H,1,6-9,16-22,25-26H2,2-4H3/t27-,28+,34-/m1/s1
InChIKey FIQKFNFTNLHBLT-NKGGCWJSSA-N
Ionization Type EI
Molecular Weight 590.809 g/mol
SMILES Oc1cccc([C@@](c2cccc(C(N3CCN(CCCCCC(OCC)=O)CC3)=O)c2)(N2[C@](CN([C@@](C2)(C)[H])CC=C)(C)[H])[H])c1
SPLASH splash10-0udi-0900320000-a40169ebb71d98cc6872
Source of Spectrum CA2643677C
Wiley ID 1852589