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2-[N-(1'-Deuterio-butyl)amino]-3-phenylpropanoic acid

View entire compound with spectra: 1 MS (GC)

2-[N-(1'-Deuterio-butyl)amino]-3-phenylpropanoic acid
SpectraBase Compound ID 7eoyeIKlyFD
InChI InChI=1S/C13H19NO2/c1-2-3-9-14-12(13(15)16)10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3,(H,15,16)/i9D
InChIKey XJUJRXBTMCGHTA-QOWOAITPSA-N
Mol Weight 222.31 g/mol
Molecular Formula C13H182DNO2
Exact Mass 222.147856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYSs8IJGyLY
Name 2-[N-(1'-Deuterio-butyl)amino]-3-phenylpropanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18DNO2
InChI InChI=1S/C13H19NO2/c1-2-3-9-14-12(13(15)16)10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3,(H,15,16)/i9D
InChIKey XJUJRXBTMCGHTA-QOWOAITPSA-N
Molecular Weight 222.306 g/mol
SMILES N(C(C(=O)O)Cc1ccccc1)C(CCC)[2D]
SPLASH splash10-001i-2900000000-990b88443f727ca7df77
Source of Spectrum I-80-782-6
Wiley ID 1517215