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 |
SpectraBase Spectrum ID | 2sFzrYJRYoE |
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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 |