| SpectraBase Spectrum ID |
JFPPByENLeK |
| Name |
Pseudoephedrine-A (CH2O) |
| CAS Registry Number |
66574-19-4 |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
177.115364106 u |
| Formula |
C11H15NO |
| InChI |
InChI=1S/C11H15NO/c1-9-11(13-8-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-,11-/m1/s1 |
| InChIKey |
POZQVPIDBKNJTK-MWLCHTKSSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
177.247 g/mol |
| Nominal Mass |
177 u |
| Quality |
1000 |
| Retention Index |
1471 |
| SMILES |
[C@]1([C@](N(CO1)C)(C)[H])(C=1C=CC=CC1)[H] |
| SPLASH |
splash10-00di-9100000000-5f9a57e49214b1150259 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dimethyl-5-phenyl-oxazolidine
3,4-Dimethyl-5-phenyl-1,3-oxazolidine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019605 |
