| SpectraBase Spectrum ID |
8F3sxNOQrEu |
| Name |
Roemerine |
| CAS Registry Number |
548-08-3 |
| 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 |
279.125928789 u |
| Formula |
C18H17NO2 |
| InChI |
InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3 |
| InChIKey |
JCTYWRARKVGOBK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
279.339 g/mol |
| Nominal Mass |
279 u |
| Quality |
939 |
| Retention Index |
2248 |
| SMILES |
C1=2C3=C4C(=CC2CCN(C1CC=1C3=CC=CC1)C)OCO4 |
| SPLASH |
splash10-004i-1490000000-ff0ff204dd1717a9b0d1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,2-Methylenedioxyaporphine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022323 |
