| SpectraBase Spectrum ID |
JGA8GO4s2xU |
| Name |
Methylephedrine AC |
| Classification |
Pharmaceutical 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 |
221.141578854 u |
| Formula |
C13H19NO2 |
| InChI |
InChI=1S/C13H19NO2/c1-10(14(3)4)13(16-11(2)15)12-8-6-5-7-9-12/h5-10,13H,1-4H3/t10-,13+/m1/s1 |
| InChIKey |
XNIFRGZNYHNEGE-MFKMUULPSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
221.300 g/mol |
| Nominal Mass |
221 u |
| Quality |
876 |
| Retention Index |
1663 |
| SMILES |
[C@](C=1C=CC=CC1)([C@](N(C)C)(C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-00di-9100000000-64d1314fe1212181aaa0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,2R)-2-(dimethylamino)-1-phenylpropyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002280 |
