| SpectraBase Spectrum ID |
Dk0dx5n1SSW |
| Name |
Ethoheptazine-A (CH3OH ester) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-16-11-6-9-15(10-12-16,14(17)18-2)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3 |
| InChIKey |
UBNMXOBMDDYZNV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
247.338 g/mol |
| Nominal Mass |
247 u |
| Quality |
885 |
| Retention Index |
1892 |
| SMILES |
C1(C2=CC=CC=C2)(C(OC)=O)CCN(CCC1)C |
| SPLASH |
splash10-000m-4920000000-22d858aac656d5219efb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(R,S)-Methyl-1-methyl-4-phenylazepan-4-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007813 |
