| SpectraBase Spectrum ID |
JIeZg8CIqKe |
| Name |
Nadolol-A (CH2O,-H2O) |
| Classification |
Pharmaceutical drug artifact |
| 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 |
321.194008349 u |
| Formula |
C18H27NO4 |
| InChI |
InChI=1S/C18H27NO4/c1-18(2,3)19-9-13(23-11-19)10-22-17-6-4-5-12-7-15(20)16(21)8-14(12)17/h4-6,13,15-16,20-21H,7-11H2,1-3H3/t13?,15-,16+/m1/s1 |
| InChIKey |
XRBWEPFAIRRTKQ-CZVYVAOFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
321.417 g/mol |
| Nominal Mass |
321 u |
| Quality |
922 |
| Retention Index |
2451 |
| SMILES |
O[C@@]1([C@@](CC=2C(C1)=C(C=CC2)OCC1CN(C(C)(C)C)CO1)(O)[H])[H] |
| SPLASH |
splash10-0a4i-6916000000-d4e0f841da8621e97bf4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R,3S)-5-((3-tert-butyl-1,3-oxazolidin-5-yl)methoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007956 |
