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S-Methyl 2-[4-(2-amino-ethyl)phenoxy]propanoate
SpectraBase Compound ID Iflexz6SnlQ
InChI InChI=1S/C12H17NO3/c1-9(12(14)15-2)16-11-5-3-10(4-6-11)7-8-13/h3-6,9H,7-8,13H2,1-2H3/t9-/m0/s1
InChIKey MKCGCLNXCHLRBC-VIFPVBQESA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjLmljIIf5I
Name S-Methyl 2-[4-(2-amino-ethyl)phenoxy]propanoate
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-9(12(14)15-2)16-11-5-3-10(4-6-11)7-8-13/h3-6,9H,7-8,13H2,1-2H3/t9-/m0/s1
InChIKey MKCGCLNXCHLRBC-VIFPVBQESA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm201306q
Molecular Weight 223.272 g/mol
SMILES NCCc1ccc(cc1)O[C@](C(OC)=O)(C)[H]
SPLASH splash10-052f-0900000000-8f63c0d5274e7f45e1f8
Source of Spectrum AF-55-SM4-S-3a
Wiley ID 1852000