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2-[(2-Bromobenzyl)amino]acetic acid methyl ester
SpectraBase Compound ID HUNFsqDkcsz
InChI InChI=1S/C10H12BrNO2/c1-14-10(13)7-12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKey ZMBGVIOOMTXNSG-UHFFFAOYSA-N
Mol Weight 258.11 g/mol
Molecular Formula C10H12BrNO2
Exact Mass 257.005142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sFzrYJRYoE
Name 2-[(2-Bromobenzyl)amino]acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.005141628 u
Formula C10H12BrNO2
InChI InChI=1S/C10H12BrNO2/c1-14-10(13)7-12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKey ZMBGVIOOMTXNSG-UHFFFAOYSA-N
Molecular Weight 258.115 g/mol
SMILES C=1(C(Br)=CC=CC1)CNCC(=O)OC