| SpectraBase Spectrum ID |
JHDXyYYyyu0 |
| Name |
Cryptopine |
| CAS Registry Number |
482-74-6 |
| Classification |
Opium alkaloid |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
369.157622840 u |
| Formula |
C21H23NO5 |
| InChI |
InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3 |
| InChIKey |
XPOJSWHIKCNLEQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
369.417 g/mol |
| Nominal Mass |
369 u |
| Quality |
969 |
| Retention Index |
2992 |
| SMILES |
C12=C3C(=CC=C2CC(C=2C(=CC(=C(C2)OC)OC)CCN(C1)C)=O)OCO3 |
| SPLASH |
splash10-0002-1921000000-d1640b3bebd33d1ab3f6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,3-Dimethoxy-13-methyl-12,13,14,15-tetrahydro[1,3]-benzodioxolo[4,5-c]benzo[g]azecin-5(6H)-\r one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013755 |
