| SpectraBase Spectrum ID |
4F6u3wVeDJx |
| Name |
Clomiphene MS2 |
| CAS Registry Number |
50-41-9 |
| Comments |
F: ITMS + c ESI d w Full ms2 406.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C26H28ClNO |
| InChI |
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+ |
| InChIKey |
GKIRPKYJQBWNGO-OCEACIFDSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=CC=CC=C1\C(Cl)=C\(C1=CC=CC=C1)C=1C=CC(OCCN(CC)CC)=CC1 |
| 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 |
