| SpectraBase Spectrum ID |
JJ8LVmZ9VI0 |
| Name |
Erythrodihydrobupropion |
| CAS Registry Number |
99102-04-2 |
| Classification |
Chemical |
| 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 |
241.123341967 u |
| Formula |
C13H20ClNO |
| InChI |
InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m1/s1 |
| InChIKey |
NDPTTXIBLSWNSF-SKDRFNHKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
241.762 g/mol |
| Nominal Mass |
241 u |
| Quality |
995 |
| Retention Index |
1749 |
| SMILES |
O[C@](C1=CC(=CC=C1)Cl)([C@](NC(C)(C)C)(C)[H])[H] |
| SPLASH |
splash10-0f6x-9400000000-3142b02f9fd25af3595a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033720 |
