| SpectraBase Spectrum ID |
2oHOqKVMoAC |
| Name |
Prestwick-A (-CO2) |
| 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 |
243.162314299 u |
| Formula |
C16H21NO |
| InChI |
InChI=1S/C16H21NO/c1-4-11-7-6-8-12-13-9-10-18-16(3,5-2)15(13)17-14(11)12/h6-8,17H,4-5,9-10H2,1-3H3 |
| InChIKey |
IYMCQNNWNNRAQH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
243.350 g/mol |
| Nominal Mass |
243 u |
| Quality |
1000 |
| Retention Index |
1951 |
| SMILES |
C12=C(C=3C(N2)=C(C=CC3)CC)CCOC1(CC)C |
| SPLASH |
splash10-03di-1970000000-ab666211d6007cc97a6a |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,8-diethyl-1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007422 |
