| SpectraBase Spectrum ID |
BFOSEK7NOYy |
| Name |
Cinnamoylcocaine, 3',4',5'-trimethoxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.194402271 u |
| Formula |
C22H29NO7 |
| InChI |
InChI=1S/C22H29NO7/c1-23-14-7-8-15(23)20(22(25)29-5)16(12-14)30-19(24)9-6-13-10-17(26-2)21(28-4)18(11-13)27-3/h6,9-11,14-16,20H,7-8,12H2,1-5H3/b9-6-/t14-,15+,16-,20+/m1/s1 |
| InChIKey |
GZFLUYGBHUUOIN-SJWWHNNZSA-N |
| Molecular Weight |
419.474 g/mol |
| SMILES |
C1C[C@]2([C@](C(=O)OC)([C@@](C[C@@]1(N2C)[H])(OC(\C=C/C1=CC(=C(C(=C1)OC)OC)OC)=O)[H])[H])[H] |
