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3-[3-((1R,2R,5S)-2-Isopropyl-5-methyl-cyclohexyl)-ureido]-butanoic acid ethylester
SpectraBase Compound ID LFytwzLA3bV
InChI InChI=1S/C17H32N2O3/c1-6-22-16(20)10-13(5)18-17(21)19-15-9-12(4)7-8-14(15)11(2)3/h11-15H,6-10H2,1-5H3,(H2,18,19,21)/t12-,13?,14+,15+/m0/s1
InChIKey BRADAIKIXINWCK-LJKOUDNXSA-N
Mol Weight 312.5 g/mol
Molecular Formula C17H32N2O3
Exact Mass 312.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CprJeMCNsNK
Name 3-[3-((1R,2R,5S)-2-Isopropyl-5-methyl-cyclohexyl)-ureido]-butanoic acid ethylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32N2O3
InChI InChI=1S/C17H32N2O3/c1-6-22-16(20)10-13(5)18-17(21)19-15-9-12(4)7-8-14(15)11(2)3/h11-15H,6-10H2,1-5H3,(H2,18,19,21)/t12-,13?,14+,15+/m0/s1
InChIKey BRADAIKIXINWCK-LJKOUDNXSA-N
Ionization Type EI
Molecular Weight 312.454 g/mol
SMILES N(C(=O)NC(CC(OCC)=O)C)[C@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-00ec-9300000000-5d0b095cb8ce5a4d2f22
Source of Spectrum EP2135516B1
Wiley ID 1845003