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Methyl 4-(trans-4-(tert-butoxycarbonylmethylamino)cyclohexyl) benzoate
SpectraBase Compound ID 3VRWsevNpnI
InChI InChI=1S/C20H29NO4/c1-20(2,3)25-19(23)21(4)17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(22)24-5/h6-9,15,17H,10-13H2,1-5H3/t15-,17-
InChIKey SSMOOXWHNDRNJX-JCNLHEQBSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22QXrk41lw
Name Methyl 4-(trans-4-(tert-butoxycarbonylmethylamino)cyclohexyl) benzoate
Alternate Name(s) Methyl 4-((1r,4r)-4-((tert-butoxycarbonyl)(methyl)amino)cyclohexyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-20(2,3)25-19(23)21(4)17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(22)24-5/h6-9,15,17H,10-13H2,1-5H3/t15-,17-
InChIKey SSMOOXWHNDRNJX-JCNLHEQBSA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 347.455 g/mol
SMILES C1C[C@](c2ccc(C(OC)=O)cc2)(CC[C@]1(N(C(=O)OC(C)(C)C)C)[H])[H]
SPLASH splash10-053r-4290000000-60eb9f4c4734f470e7b8
Source of Spectrum A1-16-924/SM45-3ca
Wiley ID 1747724