| SpectraBase Spectrum ID |
HVHHXaQkly1 |
| Name |
Etafenone-M (di-HO-) 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 |
441.215137716 u |
| Formula |
C25H31NO6 |
| InChI |
InChI=1S/C25H31NO6/c1-5-26(6-2)15-16-30-23-10-8-7-9-21(23)22(29)13-11-20-12-14-24(31-18(3)27)25(17-20)32-19(4)28/h7-10,12,14,17H,5-6,11,13,15-16H2,1-4H3 |
| InChIKey |
BJMMUDSBFHUPRH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
441.524 g/mol |
| SMILES |
c1cc(c(OCCN(CC)CC)cc1)C(=O)CCc1cc(OC(C)=O)c(cc1)OC(C)=O |
| SPLASH |
splash10-000i-9000000000-99c0ae9c9532b88d2de1 |
| 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_3358 |
