| SpectraBase Spectrum ID |
JgtNjFjUKoX |
| Name |
Ro 8-4650 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H13Cl2O/c1-10-8-13(19-3)5-6-14(10)11(2)12-4-7-15(17)16(18)9-12/h4-9H,1-2H2,3H3/q+1 |
| InChIKey |
GDPCGWZWEPIDNL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=C(C1=C([CH2+])C=C(C=C1)OC)C1=CC(=C(C=C1)Cl)Cl |
| 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 |
ms3 |
| Technique |
ITMS |
