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Methyl (2S)-2-(ethoxycarbonylamino)octanoate
SpectraBase Compound ID 6CNs1QeHJ87
InChI InChI=1S/C12H23NO4/c1-4-6-7-8-9-10(11(14)16-3)13-12(15)17-5-2/h10H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKey GABYJGKLCMOWAQ-JTQLQIEISA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1Os3V1eOcy
Name Methyl (2S)-2-(ethoxycarbonylamino)octanoate
Alternate Name(s) Methyl (S)-2-((ethoxycarbonyl)amino)octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-4-6-7-8-9-10(11(14)16-3)13-12(15)17-5-2/h10H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKey GABYJGKLCMOWAQ-JTQLQIEISA-N
Literature Reference DOI 10.1002/adsc.201801377
Molecular Weight 245.319 g/mol
SMILES N([C@@](CCCCCC)(C(OC)=O)[H])C(OCC)=O
SPLASH splash10-000i-4900000000-555179f51810b4b1ce59
Source of Spectrum ASC-361-SM71-3e
Wiley ID 1819105