Debug Info

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GhF4KpqyGyi
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GhF4KpqyGyi
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Methyl 4-(cis-3-(tert-butoxycarbonylmethylamino)cyclohexyl) benzoate
SpectraBase Compound ID CFepct09mkw
InChI InChI=1S/C20H29NO4/c1-20(2,3)25-19(23)21(4)17-8-6-7-16(13-17)14-9-11-15(12-10-14)18(22)24-5/h9-12,16-17H,6-8,13H2,1-5H3/t16-,17+/m0/s1
InChIKey GLVBXQZCQCPYCX-DLBZAZTESA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhF4KpqyGyi
Name Methyl 4-(cis-3-(tert-butoxycarbonylmethylamino)cyclohexyl) benzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-20(2,3)25-19(23)21(4)17-8-6-7-16(13-17)14-9-11-15(12-10-14)18(22)24-5/h9-12,16-17H,6-8,13H2,1-5H3/t16-,17+/m0/s1
InChIKey GLVBXQZCQCPYCX-DLBZAZTESA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 347.455 g/mol
SMILES C1C[C@](c2ccc(C(OC)=O)cc2)(C[C@@](C1)(N(C(=O)OC(C)(C)C)C)[H])[H]
SPLASH splash10-0pwa-4191000000-3e2d16d1044aea68e567
Source of Spectrum A1-16-924/SM46-3da
Synonyms Methyl 4-((1S,3R)-3-((tert-butoxycarbonyl)(methyl)amino)cyclohexyl)benzoate
Wiley ID 1747725
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