| SpectraBase Spectrum ID |
3VIMXQBjJA |
| Name |
Etafenone-M isomer-1 AC |
| Classification |
Coronary dilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-12(19)23-17-10-8-13(11-18(17)22-2)7-9-16(21)14-5-3-4-6-15(14)20/h3-6,8,10-11,20H,7,9H2,1-2H3 |
| InChIKey |
ZQEIRGTUUUCRME-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.337 g/mol |
| SMILES |
c1cc(C(=O)CCc2ccc(c(c2)OC)OC(C)=O)c(O)cc1 |
| SPLASH |
splash10-00dr-4930000000-d4bffa47fb9c56ff30b5 |
| 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 |
| Synonyms |
Etafenone-M (O-dealkyl-HO-methoxy-) isomer-1 AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3353 |
