| SpectraBase Spectrum ID |
9KiMivnUvIg |
| Name |
Ro 8-4650 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 [email protected] [75.00-335.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H17Cl2NO |
| InChI |
InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 |
| InChIKey |
ZJDCGVDEEHWEIG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1N(CC2=C(C1C1=CC(=C(C=C1)Cl)Cl)C=CC(=C2)OC)C |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
