| SpectraBase Compound ID | 1sI5ZN9g8ei |
|---|---|
| InChI | InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H |
| InChIKey | SKYZYDSNJIOXRL-UHFFFAOYSA-N |
| Mol Weight | 303.79 g/mol |
| Molecular Formula | C17H18ClNO2 |
| Exact Mass | 303.102607 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CGOLuujktkz |
|---|---|
| Name | Apomorphine HC l inkbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.102606522 u |
| Formula | C17H18ClNO2 |
| InChI | InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H |
| InChIKey | SKYZYDSNJIOXRL-UHFFFAOYSA-N |
| SMILES | OC1=C(C2=C(C=C1)CC1C3=C2C=CC=C3CCN1C)O.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.87513 |