| SpectraBase Spectrum ID |
DnqQGPmF6Z6 |
| Name |
Ethylecgonine |
| CAS Registry Number |
70939-97-8 |
| Classification |
Drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
213.136493473 u |
| Formula |
C11H19NO3 |
| InChI |
InChI=1S/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1 |
| InChIKey |
ABDMBNAKYBUEEX-QCLAVDOMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
213.277 g/mol |
| Nominal Mass |
213 u |
| Quality |
983 |
| Retention Index |
1629 |
| SMILES |
O[C@@]1([C@@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OCC)=O)[H])[H] |
| SPLASH |
splash10-001i-9100000000-d9d39fe08c561d02e8db |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ecgoninethyl ester
Ethyl (1R,3S,4R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001361 |
