SpectraBase Compound ID | B1EQzafPtmw |
---|---|
InChI | InChI=1S/C10H24N2O2.ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;/h9-14H,3-8H2,1-2H3;1H/t9-,10-;/m0./s1 |
InChIKey | ZVRRAFGIXXGENK-IYPAPVHQSA-N |
Mol Weight | 240.78 g/mol |
Molecular Formula | C10H25ClN2O2 |
Exact Mass | 240.160456 g/mol |
SpectraBase Spectrum ID | FraBqYVAlyZ |
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Name | Ethambutol HC l inkbr |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 240.160455751 u |
Formula | C10H25ClN2O2 |
InChI | InChI=1S/C10H24N2O2.ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;/h9-14H,3-8H2,1-2H3;1H/t9-,10-;/m0./s1 |
InChIKey | ZVRRAFGIXXGENK-IYPAPVHQSA-N |
SMILES | N(CCN[C@](CO)(CC)[H])[C@](CO)(CC)[H].Cl |
Spectrum/Structure Validation Score (Raman) | 0.995694 |