SpectraBase Compound ID | B785q3C2HzY |
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InChI | InChI=1S/C11H17N.ClH/c1-11(2,3)12-9-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H |
InChIKey | YGVJSKQNZUYONI-UHFFFAOYSA-N |
Mol Weight | 199.72 g/mol |
Molecular Formula | C11H18ClN |
Exact Mass | 199.112777 g/mol |
SpectraBase Spectrum ID | 2lC4KSBYXbZ |
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Name | N-Tert-butylbenzylamine, hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 199.112777284 u |
Formula | C11H18ClN |
InChI | InChI=1S/C11H17N.ClH/c1-11(2,3)12-9-10-7-5-4-6-8-10;/h4-8,12H,9H2,1-3H3;1H |
InChIKey | YGVJSKQNZUYONI-UHFFFAOYSA-N |
SMILES | N(C(C)(C)C)CC1=CC=CC=C1.Cl |
Spectrum/Structure Validation Score (Raman) | 0.989607 |