| SpectraBase Spectrum ID |
JGMdf10ERM2 |
| Name |
Diethylstilbestrol 2AC |
| CAS Registry Number |
5965-06-0 |
| Classification |
Estrogen |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
352.167459249 u |
| Formula |
C22H24O4 |
| InChI |
InChI=1S/C22H24O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h7-14H,5-6H2,1-4H3/b22-21+ |
| InChIKey |
NFCAKXYIMSRNLP-QURGRASLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
352.430 g/mol |
| SMILES |
c1cc(\C(=C\(c2ccc(cc2)OC(=O)C)CC)CC)ccc1OC(=O)C |
| SPLASH |
splash10-07vi-2894000000-d7bb440677b450f34ee7 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1420 |
