SpectraBase Compound ID | DFQgoVmHxIK |
---|---|
InChI | InChI=1S/C9H11NO2.Cl/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12); |
InChIKey | YHWVJZULKHCKCK-UHFFFAOYSA-N |
Mol Weight | 200.64 g/mol |
Molecular Formula | C9H11ClNO2 |
Exact Mass | 200.047831 g/mol |
SpectraBase Spectrum ID | JLA15HlMyS |
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Name | N-Benzylglycine hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 200.047831296 u |
Formula | C9H11ClNO2 |
InChI | InChI=1S/C9H11NO2.Cl/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12); |
InChIKey | YHWVJZULKHCKCK-UHFFFAOYSA-N |
Molecular Weight | 200.645 g/mol |
Nominal Mass | 200 u |
SMILES | C(C1=CC=CC=C1)NCC(=O)O.[Cl] |
Spectrum/Structure Validation Score (Raman) | 0.834742 |