| SpectraBase Spectrum ID |
J22r465gNZG |
| Name |
Fendiline-M (HO-methoxy-) 2AC |
| Classification |
Coronary dilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
445.225308478 u |
| Formula |
C28H31NO4 |
| InChI |
InChI=1S/C28H31NO4/c1-20(23-11-7-5-8-12-23)29(21(2)30)18-17-26(24-13-9-6-10-14-24)25-15-16-27(33-22(3)31)28(19-25)32-4/h5-16,19-20,26H,17-18H2,1-4H3 |
| InChIKey |
HUGGSACJKMCJJT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
445.559 g/mol |
| SMILES |
c1c(cc(OC)c(OC(C)=O)c1)C(c1ccccc1)CCN(C(C)=O)C(C)c1ccccc1 |
| SPLASH |
splash10-0adi-5920100000-0ddb88d09a693f51a12b |
| 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. |
| Sample Preparation Procedure |
Detected: UHYAC |
| 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_3395 |
