| SpectraBase Spectrum ID |
36POMpPYZLo |
| Name |
Cocaine-m (ho-di-methoxy-) P1681 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
525.142207544 u |
| Formula |
C22H24F5NO8 |
| InChI |
InChI=1S/C22H24F5NO8/c1-28-11-5-6-12(28)16(19(30)34-4)13(9-11)35-18(29)10-7-14(32-2)17(15(8-10)33-3)36-20(31)21(23,24)22(25,26)27/h7-8,11-13,16H,5-6,9H2,1-4H3 |
| InChIKey |
MRNORUGXGHPQGC-UHFFFAOYSA-N |
| Molecular Weight |
525.425 g/mol |
| SMILES |
C(C(OC=1C(=CC(=CC1OC)C(OC1CC2N(C)C(C1C(OC)=O)CC2)=O)OC)=O)(C(F)(F)F)(F)F |
