| SpectraBase Compound ID | 5IRTnxBJSIQ |
|---|---|
| InChI | InChI=1S/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H |
| InChIKey | JCDRZCWRRLKLTB-UHFFFAOYSA-N |
| Mol Weight | 203.67 g/mol |
| Molecular Formula | C9H14ClNO2 |
| Exact Mass | 203.071306 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CcjIOlNsv8v |
|---|---|
| Name | Deoxyepinephrine HC l inkbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.071306393 u |
| Formula | C9H14ClNO2 |
| InChI | InChI=1S/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H |
| InChIKey | JCDRZCWRRLKLTB-UHFFFAOYSA-N |
| SMILES | OC=1C=C(C=CC1O)CCNC.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.986178 |